643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,3|C<3>}	119.1770	0.000	1	119.5163	0.972	3	119.5163	0.972	3	119.5163	0.972	3	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,3|C<3>}	119.6860	1.331	2	119.5163	0.972	3	119.5163	0.972	3	119.5163	0.972	3	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.2840	0.007	2	116.2840	0.000	2	116.2840	0.000	2	116.9092	1.555	20	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	117.1402	0.442	6	117.1402	0.195	6	116.9787	1.686	18	116.9092	1.555	20	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<3>,2|H<1>,4|C<3>}	117.2540	0.107	2	116.0870	1.057	6	116.9787	1.686	18	116.9092	1.555	20	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<3>,2|H<1>,4|C<3>}	115.5035	0.629	4	116.0870	1.057	6	116.9787	1.686	18	116.9092	1.555	20	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|O<2>,2|H<1>,4|C<3>}	116.6525	0.385	4	116.6525	0.149	4	116.9787	1.686	18	116.9092	1.555	20	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<2>,2|H<1>,4|C<3>}	119.8215	0.667	2	119.8215	0.445	2	116.9787	1.686	18	116.9092	1.555	20	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]N)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]N){2|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	114.9090	0.511	4	114.9090	0.261	4	115.7440	1.830	6	116.6390	4.055	8	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|O<2>,2|H<1>,4|C<3>}	117.4140	0.008	2	117.4140	0.000	2	115.7440	1.830	6	116.6390	4.055	8	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.3240	0.110	2	119.3240	0.012	2	119.3240	0.012	2	116.6390	4.055	8	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(CCCH)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(CCCH){1|O<2>,2|H<1>,4|C<3>}	119.7807	0.495	4	119.7807	0.245	4	119.7807	0.245	4	119.7807	0.245	4	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	115.3560	0.000	1	115.3560	0.000	1	117.2057	3.188	3	117.2057	3.188	3	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(O){1|H<1>,6|C<3>}	118.9190	0.000	1	118.9190	0.000	1	117.2057	3.188	3	117.2057	3.188	3	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.3420	0.000	1	117.3420	0.000	1	117.2057	3.188	3	117.2057	3.188	3	117.2836	3.356	39	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6,6]	3:3:3:	3:3:1:	4:4:3:	S[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:	C[6a](S[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]S[6,6]C[6a])(C[6a]C[6a]H)(H)	S[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(C[6a]C[6a]2)	C[6a](S[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]S[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	S[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(C[6a]C[6a]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	118.8097	6.277	4	118.8097	39.407	4	118.8097	39.407	4	118.8097	39.407	4	118.8097	39.407	4	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:S[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(S[6]C[6]2)	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(S[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	S[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	118.8020	2.554	2	118.8020	6.523	2	118.8020	6.523	2	119.0517	2.297	8	119.2201	5.824	14	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:S[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(S[6]C[6]2)	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(S[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	S[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|B<4>,3|H<1>,5|C<3>}	119.0055	2.618	2	119.0055	6.856	2	119.0055	6.856	2	119.0517	2.297	8	119.2201	5.824	14	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:S[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)2(S[6]N[6]2)	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6a]C[6a]2)(N[6]Ge[6]Si)2	C[6a](C[6a]C[6a]H)2(S[6]N[6]2){2|Ge<3>,2|Si<4>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	S[6](C[6a]C[6a]2)(N[6]Ge[6]Si)2{2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	119.1570	1.574	2	119.1570	2.478	2	119.1570	2.478	2	119.0517	2.297	8	119.2201	5.824	14	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:3:3:	S[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](S[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](S[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.2425	0.015	2	119.2425	0.000	2	119.2425	0.000	2	119.0517	2.297	8	119.2201	5.824	14	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	3:3:3:	3:3:1:	3:4:2:	S[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](S[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])	C[6a](S[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	S[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	118.8540	2.755	2	118.8540	7.589	2	118.8540	7.589	2	118.8540	7.589	2	119.2201	5.824	14	117.8663	6.499	57
643	643	922	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	3:3:3:	3:3:1:	4:3:4:	S[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6]-4:	C[6a](S[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]HH)	C[6a](S[6]B[6]C[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	S[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]HH){1|S<3>,4|H<1>,8|C<3>}	119.7400	4.102	4	119.7400	16.823	4	119.7400	16.823	4	119.7400	16.823	4	119.2201	5.824	14	117.8663	6.499	57
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|O<2>,2|H<1>,4|C<3>}	124.5542	0.471	4	124.5542	0.222	4	124.5542	0.222	4	122.5485	9.788	6	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<2>,2|H<1>,4|C<3>}	118.5370	0.017	2	118.5370	0.000	2	118.5370	0.000	2	122.5485	9.788	6	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|O<2>,2|H<1>,4|C<3>}	122.0610	0.035	2	122.0610	0.001	2	122.0610	0.001	2	120.6603	2.702	4	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.2595	0.506	2	119.2595	0.256	2	119.2595	0.256	2	120.6603	2.702	4	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2(CCCH)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(CCCH){1|O<2>,2|H<1>,4|C<3>}	119.0733	0.461	4	119.0733	0.212	4	119.0733	0.212	4	119.0733	0.212	4	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,3|C<3>}	120.0690	0.000	1	119.7497	0.994	3	119.7497	0.994	3	119.7497	0.994	3	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,3|C<3>}	119.5900	1.355	2	119.7497	0.994	3	119.7497	0.994	3	119.7497	0.994	3	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.3510	0.421	2	123.3510	0.178	2	123.3510	0.178	2	122.9394	0.417	8	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<3>,2|H<1>,4|C<3>}	122.4585	0.745	2	122.8022	0.458	6	122.8022	0.458	6	122.9394	0.417	8	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<3>,2|H<1>,4|C<3>}	122.9740	0.678	4	122.8022	0.458	6	122.8022	0.458	6	122.9394	0.417	8	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	123.6205	0.258	4	123.6205	0.067	4	123.6205	0.067	4	123.6205	0.067	4	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(O){1|H<1>,6|C<3>}	119.9130	0.000	1	119.9130	0.000	1	119.9130	0.000	1	121.0340	2.513	2	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.1550	0.000	1	122.1550	0.000	1	122.1550	0.000	1	121.0340	2.513	2	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]N)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6]Cl2)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]N){2|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6]Cl2)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.0820	0.000	1	124.0820	0.000	1	124.0820	0.000	1	124.0820	0.000	1	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O){2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	122.2970	0.000	1	122.2970	0.000	1	122.2970	0.000	1	122.2970	0.000	1	121.6531	4.033	39	121.6531	4.033	39
643	643	922	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.7585	0.474	6	120.7585	0.224	6	120.7585	0.224	6	120.7585	0.224	6	121.6531	4.033	39	121.6531	4.033	39
643	643	923	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	As[6a]	3:3:3:	3:3:1:	3:3:3:	As[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]As[6a])(C[6a]C[6a]H)(H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]As[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.1255	0.015	2	119.3310	0.040	6	119.3310	0.040	6	119.3310	0.040	6	118.1078	0.866	18	118.6995	3.833	24
643	643	923	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	As[6a]	3:3:3:	3:3:1:	3:3:3:	As[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]As[6a])(C[6a]C[6a]H)(H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]As[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	119.4338	0.157	4	119.3310	0.040	6	119.3310	0.040	6	119.3310	0.040	6	118.1078	0.866	18	118.6995	3.833	24
643	643	923	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	As[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:As[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:P-4:	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]As[6a])(C[6a]C[6a]H)(H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]As[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC3){1|N<3>,2|H<1>,4|C<3>}	117.4257	0.357	8	117.4257	0.127	8	117.4962	0.096	12	117.4962	0.096	12	118.1078	0.866	18	118.6995	3.833	24
643	643	923	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	As[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:As[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:P-4:	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]As[6a])(C[6a]C[6a]H)(H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC[6a]3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]As[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC[6a]3){1|N<3>,2|H<1>,4|C<3>}	117.6370	0.121	4	117.6370	0.015	4	117.4962	0.096	12	117.4962	0.096	12	118.1078	0.866	18	118.6995	3.833	24
643	643	923	0:SP2_SP2_SP2	C[6a]	C[6a]	As[6a]	3:3:3:	3:3:1:	3:3:3:	As[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	123.6875	0.794	2	123.6875	0.631	2	121.8243	8.277	4	121.8243	8.277	4	120.4748	9.647	6	118.6995	3.833	24
643	643	923	0:SP2_SP2_SP2	C[6a]	C[6a]	As[6a]	3:3:3:	3:3:1:	3:3:3:	As[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]F)(H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	117.6900	0.000	1	117.6900	0.000	1	121.8243	8.277	4	121.8243	8.277	4	120.4748	9.647	6	118.6995	3.833	24
643	643	923	0:SP2_SP2_SP2	C[6a]	C[6a]	As[6a]	3:3:3:	3:3:1:	3:3:3:	As[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	122.2320	0.000	1	122.2320	0.000	1	121.8243	8.277	4	121.8243	8.277	4	120.4748	9.647	6	118.6995	3.833	24
643	643	923	0:SP2_SP2_SP2	C[6a]	C[6a]	As[6a]	3:3:3:	3:3:2:	3:3:3:	As[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	117.7760	1.246	2	117.7760	1.552	2	117.7760	1.552	2	117.7760	1.552	2	120.4748	9.647	6	118.6995	3.833	24
643	643	923	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	As[6a]	3:3:3:	3:2:3:	3:3:3:	As[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]As[6a]C[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	122.8540	0.064	2	122.6540	0.147	6	122.6540	0.147	6	122.6540	0.147	6	122.9342	0.159	18	122.9342	0.159	18
643	643	923	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	As[6a]	3:3:3:	3:2:3:	3:3:3:	As[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]As[6a]C[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	122.5540	0.451	4	122.6540	0.147	6	122.6540	0.147	6	122.6540	0.147	6	122.9342	0.159	18	122.9342	0.159	18
643	643	923	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	As[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:As[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:P-4:	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC3){1|N<3>,2|H<1>,4|C<3>}	123.2284	0.282	8	123.2284	0.079	8	123.0743	0.115	12	123.0743	0.115	12	122.9342	0.159	18	122.9342	0.159	18
643	643	923	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	As[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:As[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:P-4:	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC[6a]3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC[6a]3){1|N<3>,2|H<1>,4|C<3>}	122.7660	0.213	4	122.7660	0.045	4	123.0743	0.115	12	123.0743	0.115	12	122.9342	0.159	18	122.9342	0.159	18
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6,6a]	Br	3:3:1:	3:4:3:	3:	C[6,6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br)	Br(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)(Br){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]Br){3|H<1>,5|C<3>}	Br(C[6a]C[6,6,6a]C[6a])	126.0730	0.000	1	126.0730	0.000	1	121.3146	4.600	7	121.3146	4.600	7	120.6551	3.967	11	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6,6a]	Br	3:3:1:	3:4:3:	3:	C[6,6,6a]-3:C[6a]-3:Br-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]O)(Br)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br)	Br(C[6a]C[6,6,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(Br){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]2H)(C[6a]C[6a]Br){1|O<2>,2|H<1>,5|C<3>}	Br(C[6a]C[6,6,6a]C[6a])	120.5215	0.487	6	120.5215	0.237	6	121.3146	4.600	7	121.3146	4.600	7	120.6551	3.967	11	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6,6a]	Br	3:3:1:	4:3:3:	3:	C[6,6,6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[6,6,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(Br){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	Br(C[6a]C[6,6,6a]C[6a])	118.5490	0.211	2	118.5490	0.044	2	119.5010	1.231	4	119.5010	1.231	4	120.6551	3.967	11	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6,6a]	Br	3:3:1:	4:3:3:	3:	C[6,6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br)	Br(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)(Br){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	Br(C[6a]C[6,6,6a]C[6a])	120.4530	0.153	2	120.4530	0.023	2	119.5010	1.231	4	119.5010	1.231	4	120.6551	3.967	11	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])2(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6])	Br(C[6a]C[6,6a]2)	C[6a](C[6,6a]C[6,6a]C[6])2(Br){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6,6a]2)	118.2460	0.000	1	118.2460	0.000	1	118.2460	0.000	1	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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,6a]H)(Br)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(Br){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){2|H<1>,4|C<3>}	Br(C[6a]C[6,6a]C[6a])	120.3630	0.000	1	120.3630	0.000	1	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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]C)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(Br){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	Br(C[6a]C[6,6a]C[6a])	118.2650	0.000	1	118.4185	0.047	2	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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]C)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(Br){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	Br(C[6a]C[6,6a]C[6a])	118.5720	0.000	1	118.4185	0.047	2	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(O[6]C[6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.1165	0.169	2	119.1165	0.029	2	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Br)(O[6]C[3x6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Cl<1>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Br)(O[6]C[3x6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6,6a]C[6a])	118.8410	0.000	1	118.8410	0.000	1	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.7738	0.553	6	119.8085	0.229	8	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Cl<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.9125	0.210	2	119.8085	0.229	8	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6,6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.2040	0.024	2	119.2040	0.001	2	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	Br(C[6a]C[6,6a]C[6a])	120.2230	0.000	1	120.4890	0.131	3	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	Br(C[6a]C[6,6a]C[6a])	120.3420	0.000	1	120.4890	0.131	3	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){3|C<3>,4|H<1>}	Br(C[6a]C[6,6a]C[6a])	120.9020	0.000	1	120.4890	0.131	3	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(O[6]C[6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	Br(C[6a]C[6,6a]C[6a])	118.2860	0.000	1	118.2860	0.000	1	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]Br)(O[6]C[6,6a])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|C<4>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]Br)(O[6]C[6,6a]){2|H<1>,2|O<1>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	118.9680	0.000	2	118.9680	0.000	2	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Br){1|Br<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	Br(C[6a]C[6,6a]C[6a])	120.1760	0.000	1	120.1760	0.000	1	119.5224	0.551	23	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(S[6]C[6,6a])	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(S[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	119.5950	0.768	2	119.5950	0.590	2	119.5950	0.590	2	119.4789	0.572	26	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])2(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]H)	Br(C[6a]C[6,6a]2)	C[6a](C[6,6a]C[6,6a]C[6])2(Br){1|Br<1>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	Br(C[6a]C[6,6a]2)	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(C[6]C[6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6,6a]C[6a])	118.4530	0.000	1	118.4530	0.000	1	118.4530	0.000	1	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Br)(C[6]N[6]O)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]Br)(Br){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]Br)(C[6]N[6]O){1|Br<1>,1|C<4>,4|C<3>}	Br(C[6a]C[6,6a]C[6a])	121.8435	0.702	4	121.8435	0.492	4	121.8437	0.296	6	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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[6a,6a]Br)(Br)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]Br)(C[6]O[6]O)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(Br){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]Br)(C[6]O[6]O){1|Br<1>,4|C<3>}	Br(C[6a]C[6,6a]C[6a])	121.8440	0.028	2	121.8440	0.001	2	121.8437	0.296	6	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(Br){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]Br){1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	122.7520	0.000	1	122.7520	0.000	1	122.7520	0.000	1	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Br){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	Br(C[6a]C[6,6a]C[6a])	121.2225	0.112	2	121.2225	0.013	2	121.9641	1.662	8	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(Br){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]Br){1|Os<6>,1|N<3>,2|H<1>,4|C<3>}	Br(C[6a]C[6,6a]C[6a])	124.7360	0.000	1	124.7360	0.000	1	121.9641	1.662	8	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br){1|O<2>,2|H<1>,4|C<3>}	Br(C[6a]C[6,6a]C[6a])	122.5030	0.000	1	122.5030	0.000	1	121.9641	1.662	8	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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]O)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]Br){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	Br(C[6a]C[6,6a]C[6a])	121.5072	0.756	4	121.5072	0.572	4	121.9641	1.662	8	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	124.4720	0.000	1	124.4720	0.000	1	124.4720	0.000	1	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Br)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Br<1>,1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	116.0035	0.896	2	116.0035	0.803	2	119.3773	4.855	16	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6,6a]C[6a])	118.3540	0.642	2	118.3540	0.412	2	119.3773	4.855	16	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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,6a]H)(Br)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Mn<6>,2|H<1>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	118.0890	0.000	1	118.0890	0.000	1	119.3773	4.855	16	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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,6a]O)(Br)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]Br)(C[6]C[6,6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]Br)(C[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	118.9510	0.000	1	118.9510	0.000	1	119.3773	4.855	16	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]N)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Br){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]Br)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	Br(C[6a]C[6,6a]C[6a])	117.4070	0.000	1	117.4070	0.000	1	119.3773	4.855	16	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	120.0920	0.000	1	119.6688	0.685	4	119.3773	4.855	16	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	Br(C[6a]C[6,6a]C[6a])	118.9895	0.278	2	119.6688	0.685	4	119.3773	4.855	16	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	Br(C[6a]C[6,6a]C[6a])	120.6040	0.000	1	119.6688	0.685	4	119.3773	4.855	16	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]O)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	Br(C[6a]C[6,6a]C[6a])	123.4060	0.000	1	123.4060	0.000	1	119.3773	4.855	16	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]O[6]O)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	Br(C[6a]C[6,6a]C[6a])	123.6600	0.000	1	123.6600	0.000	1	119.3773	4.855	16	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Ru<9>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6,6a]C[6a])	121.2170	0.000	1	120.3777	0.532	3	119.3773	4.855	16	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.9580	0.083	2	120.3777	0.532	3	119.3773	4.855	16	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[6]C[6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	Br(C[6a]C[6,6a]C[6a])	120.2530	0.000	1	120.2530	0.000	1	120.3289	2.165	9	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]C)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.1170	0.000	1	119.1170	0.000	1	120.3289	2.165	9	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	Br(C[6a]C[6,6a]C[6a])	118.5590	0.000	1	118.5590	0.000	1	120.3289	2.165	9	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]C)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	Br(C[6a]C[6,6a]C[6a])	122.8460	0.000	1	122.8460	0.000	1	120.3289	2.165	9	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.6050	0.000	1	119.3350	0.146	2	120.3289	2.165	9	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	Br(C[6a]C[6,6a]C[6a])	119.0650	0.000	1	119.3350	0.146	2	120.3289	2.165	9	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]S)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]S){3|C<3>,4|H<1>}	Br(C[6a]C[6,6a]C[6a])	122.3210	0.000	1	122.3210	0.000	1	120.3289	2.165	9	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(N[6]C[6]C)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(N[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	Br(C[6a]C[6,6a]C[6a])	120.5970	0.383	2	120.5970	0.147	2	120.3289	2.165	9	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	Br(C[6a]C[6,6a]C[6a])	118.8880	0.040	2	119.6702	0.275	9	119.6702	0.275	9	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br){1|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.9342	0.333	6	119.6702	0.275	9	119.6702	0.275	9	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br){2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.6510	0.000	1	119.6702	0.275	9	119.6702	0.275	9	120.3743	3.856	52	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6,6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]Br)(C[6]C[6]HH)	Br(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(Br){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]Br)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	Br(C[6a]C[5,6a]C[6,6a])	122.9000	0.000	1	122.9000	0.000	1	122.9000	0.000	1	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])2(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH)	Br(C[6a]C[6,6a]2)	C[6a](C[6,6a]C[6,6a]C[6])2(Br){1|Br<1>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6,6a]2)	119.6730	0.000	1	118.8595	1.324	2	118.8595	1.324	2	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])2(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH)	Br(C[6a]C[6,6a]2)	C[6a](C[6,6a]C[6,6a]C[6])2(Br){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH){3|Br<1>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	Br(C[6a]C[6,6a]2)	118.0460	0.000	1	118.8595	1.324	2	118.8595	1.324	2	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]CC)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Br){2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	Br(C[6a]C[6,6a]C[6a])	121.3890	0.275	3	121.3890	0.075	3	120.1765	0.836	19	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-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]F)(Br)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(Br){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.6570	0.431	8	119.6570	0.185	8	120.1765	0.836	19	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	Br(C[6a]C[6,6a]C[6a])	120.0370	0.000	1	120.0370	0.000	1	120.1765	0.836	19	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HO)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	Br(C[6a]C[6,6a]C[6a])	121.5115	0.131	2	121.5115	0.017	2	120.1765	0.836	19	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	Br(C[6a]C[6,6a]C[6a])	120.7240	0.000	1	120.7240	0.000	1	120.1765	0.836	19	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	119.9520	0.000	1	119.9520	0.000	1	120.1765	0.836	19	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]N[6]HH)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.8440	0.000	1	119.8440	0.000	1	120.1765	0.836	19	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){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]Br)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.8700	0.000	1	119.8700	0.000	1	120.1765	0.836	19	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]O[6]HH)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	Br(C[6a]C[6,6a]C[6a])	118.4800	0.000	1	118.4800	0.000	1	120.1765	0.836	19	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6,6a]-3:Br-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])(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6,6a]HH)	Br(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])(Br){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6,6a]HH){1|Pd<4>,2|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6,6a])	119.2540	0.000	1	119.2540	0.000	1	118.5939	0.521	10	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6,6a]-3:Br-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])(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HH)	Br(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])(Br){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	Br(C[6a]C[6a,6a]C[6,6a])	117.9952	0.435	5	117.9952	0.189	5	118.5939	0.521	10	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6,6a]-3:Br-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])(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO)	Br(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])(Br){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6,6a])	119.1773	0.338	4	119.1773	0.114	4	118.5939	0.521	10	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6,6a]-3:Br-1:	N[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]N[6,6a]C[6])(Br)	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH)	Br(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(Br){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	Br(C[6a]C[6a,6a]C[6,6a])	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1	119.6399	1.606	33	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:Br-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,6a]O)(Br)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]Br){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	120.4670	0.000	1	120.4670	0.000	1	120.4523	10.074	3	120.6654	5.122	5	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:Br-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]C)(Br)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Br){1|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]Br){1|H<1>,2|C<3>,3|C<4>}	Br(C[6a]C[6,6a]C[6a])	117.2710	0.000	1	117.2710	0.000	1	120.4523	10.074	3	120.6654	5.122	5	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<2>,1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	123.6190	0.000	1	123.6190	0.000	1	120.4523	10.074	3	120.6654	5.122	5	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Br){1|C<4>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	120.9850	0.000	2	120.9850	0.000	2	120.9850	0.000	2	120.6654	5.122	5	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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]C)(Br)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(Br){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	Br(C[6a]C[6,6a]C[6a])	118.6610	0.028	2	118.6610	0.001	2	119.5730	1.334	4	119.6616	1.040	5	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.9040	0.000	1	119.9040	0.000	1	119.5730	1.334	4	119.6616	1.040	5	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(Br){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br){2|H<1>,7|C<3>}	Br(C[6a]C[6,6a]C[6a])	121.0660	0.000	1	121.0660	0.000	1	119.5730	1.334	4	119.6616	1.040	5	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Br	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(Br){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br){1|C<4>,3|C<3>,4|H<1>}	Br(C[6a]C[6,6a]C[6a])	120.0160	0.000	1	120.0160	0.000	1	120.0160	0.000	1	119.6616	1.040	5	119.9642	2.569	121	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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,6a]O)(Br)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a,6a]O)(Br){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]Br){1|O<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.9740	0.000	1	119.9740	0.000	1	119.5112	2.199	6	119.5112	2.199	6	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a,6a](C[6a,6a]C[6a]O[6a])(O[6a]C[6a,6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Br)(Br){1|Br<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(O[6a]C[6a,6a])(C[6a]C[6a]Br){2|Br<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.9800	1.048	2	117.9800	1.098	2	119.5112	2.199	6	119.5112	2.199	6	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br){1|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]Br){1|O<1>,2|O<2>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.4310	0.000	1	119.4310	0.000	1	119.5112	2.199	6	119.5112	2.199	6	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a,6a](C[6a,6a]C[6a]O[6a])(O[6a]C[6a,6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br){1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(O[6a]C[6a,6a])(C[6a]C[6a]Br){1|Br<1>,1|O<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.8510	1.182	2	120.8510	1.398	2	119.5112	2.199	6	119.5112	2.199	6	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-1:	C[6a]-3:C[6a,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])(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a])	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(Br){1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]2)	118.6160	0.000	1	118.6160	0.000	1	118.6933	0.692	3	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a])	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(Br){5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	Br(C[6a]C[6a,6a]2)	118.7320	1.172	2	118.7320	1.374	2	118.6933	0.692	3	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Br)(Br){1|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|Br<1>,1|N<2>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.7960	0.327	2	117.7960	0.107	2	118.0817	0.252	6	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(Br){1|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.2245	0.550	4	118.2245	0.303	4	118.0817	0.252	6	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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]Cl)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a])	Br(C[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|Cl<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.3795	0.274	2	119.3795	0.075	2	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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]F)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(Br){1|F<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|F<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	121.8950	0.170	2	121.8950	0.029	2	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[5,6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	120.1652	0.805	5	120.1652	0.648	5	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a]){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.3093	0.423	4	119.3093	0.179	4	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.4743	0.545	3	119.2660	0.172	10	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.3490	0.362	4	119.2660	0.172	10	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	118.7300	0.000	1	119.2660	0.172	10	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	118.9380	0.000	1	119.2660	0.172	10	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.1730	0.000	1	119.2660	0.172	10	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.1500	0.000	1	120.1500	0.000	1	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.5500	0.000	1	119.6237	0.076	3	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.3930	0.000	1	119.6237	0.076	3	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.9280	0.000	1	119.6237	0.076	3	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(Br){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.4940	0.000	1	119.4940	0.000	1	119.7067	0.689	28	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(O[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(O[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.7810	0.000	1	119.8705	0.016	2	120.2986	0.874	9	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(O[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(O[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.9600	0.000	1	119.8705	0.016	2	120.2986	0.874	9	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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]N)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(O[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(Br){1|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(O[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.1480	0.000	1	118.1480	0.000	1	120.2986	0.874	9	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(O[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br){1|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(O[6a]C[6a]){1|O<1>,2|O<2>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.5350	0.000	1	120.7997	0.095	6	120.2986	0.874	9	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(O[6a]C[6a])	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(O[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	Br(C[6a]C[6a,6a]C[6a])	120.8526	0.313	5	120.7997	0.095	6	120.2986	0.874	9	119.5444	1.091	46	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:Br-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(Br)	C[6a,6a](C[6a]C[5a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	Br(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(Br){1|H<1>,5|C<3>}	C[6a,6a](C[6a]C[5a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|H<1>,1|S<2>,4|C<3>}	Br(C[6a]C[5a,6a]C[6a,6a])	119.9575	0.025	2	119.9575	0.001	2	119.9575	0.001	2	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:Br-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])(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]Br)(C[6a]C[6a]H)	Br(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])(Br){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[5,6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	Br(C[6a]C[6a,6a]C[5,6a])	120.6620	0.000	1	120.6620	0.000	1	120.6620	0.000	1	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:Br-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])(Br)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(C[6a]C[6a]H)	Br(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])(Br){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6,6a])	118.3120	0.000	1	118.3120	0.000	1	117.8325	0.654	11	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:Br-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])(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Br)(C[6a]C[6,6a]H)	Br(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])(Br){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Br)(C[6a]C[6,6a]H){1|Pd<4>,1|C<2>,1|C<4>,1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6,6a])	117.3400	0.000	1	117.3400	0.000	1	117.8325	0.654	11	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:Br-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])(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Br)(C[6a]C[6a]H)	Br(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])(Br){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6,6a])	117.2362	0.543	4	117.6171	0.384	8	117.8325	0.654	11	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:Br-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])(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Br)(C[6a]C[6a]H)	Br(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])(Br){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Br)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6,6a])	117.8365	0.108	2	117.6171	0.384	8	117.8325	0.654	11	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:Br-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])(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Br)(C[6a]C[6a]H)	Br(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])(Br){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6,6a])	118.1595	0.725	2	117.6171	0.384	8	117.8325	0.654	11	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:Br-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]N[6,6a]C[6])(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(Br){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	Br(C[6a]C[6a,6a]C[6,6a])	119.5680	0.000	1	119.5680	0.000	1	117.8325	0.654	11	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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,6a]C[6a,6a]N[6a])(Br)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(Br){1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]Br)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]2)	118.7450	0.000	1	118.7450	0.000	1	118.0710	0.372	3	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]2)	117.7340	0.252	2	117.7340	0.063	2	118.0710	0.372	3	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	Br(C[6a]C[6a,6a]2)	118.1450	0.000	1	118.1450	0.000	1	118.4238	0.529	69	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]2)	118.4955	0.078	2	118.4279	0.536	68	118.4238	0.529	69	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a,6a]2)	119.0125	0.814	2	118.4279	0.536	68	118.4238	0.529	69	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]2)	118.3750	0.297	4	118.4279	0.536	68	118.4238	0.529	69	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]2)	118.3995	1.399	12	118.4279	0.536	68	118.4238	0.529	69	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	Br(C[6a]C[6a,6a]2)	118.3785	0.538	2	118.4279	0.536	68	118.4238	0.529	69	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]2)	118.4619	0.418	8	118.4279	0.536	68	118.4238	0.529	69	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]2)	118.5984	0.416	8	118.4279	0.536	68	118.4238	0.529	69	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]2)	118.1164	0.918	5	118.4279	0.536	68	118.4238	0.529	69	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Si<3>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]2)	118.3260	0.092	2	118.4279	0.536	68	118.4238	0.529	69	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]2)	118.4422	0.641	13	118.4279	0.536	68	118.4238	0.529	69	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Br-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(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Br){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]2)	118.3566	0.317	10	118.4279	0.536	68	118.4238	0.529	69	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]Br)(Br){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]Br){2|Br<1>,6|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.9740	0.081	2	119.9740	0.006	2	122.2508	7.086	4	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(Br){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]Br){2|H<1>,6|C<3>}	Br(C[6a]C[6a,6a]C[6a])	124.5275	0.719	2	124.5275	0.517	2	122.2508	7.086	4	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]B[6a]C)(Br)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]B[6a]C)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	115.3450	0.064	2	115.3450	0.004	2	120.1166	11.676	38	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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[5,6a]H)(Br)	C[6a,6a](C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5,6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.2980	0.390	2	118.2980	0.152	2	120.1166	11.676	38	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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[6,6a]H)(Br)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.0310	0.000	1	120.0310	0.000	1	120.1166	11.676	38	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Br)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.4986	0.554	14	117.4986	0.307	14	120.1166	11.676	38	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]N[6a]O)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(Br){1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	124.2573	0.863	3	124.2573	0.744	3	120.1166	11.676	38	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]B[5])(Br)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B[5])(Br){1|Br<1>,1|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|B<3>,1|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.0485	0.235	2	119.0485	0.055	2	120.1166	11.676	38	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.7085	0.279	2	119.7085	0.078	2	120.1166	11.676	38	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]Br)2	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|Cl<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]Br)2{2|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	125.2936	0.630	8	125.2936	0.397	8	120.1166	11.676	38	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.2350	0.000	1	119.8748	2.223	4	120.1166	11.676	38	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.6290	0.000	1	119.8748	2.223	4	120.1166	11.676	38	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br){1|Pt<4>,1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.6820	0.000	1	119.8748	2.223	4	120.1166	11.676	38	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.9530	0.000	1	119.8748	2.223	4	120.1166	11.676	38	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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,6a]Br)(Br)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]Br)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	116.4800	0.607	3	116.4800	0.368	3	122.1483	6.283	29	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|As<3>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]Br){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	122.2670	0.000	2	122.2670	0.000	2	122.1483	6.283	29	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]B)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|B<3>,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>}	Br(C[6a]C[6a,6a]C[6a])	120.9030	1.795	2	120.9030	3.221	2	122.1483	6.283	29	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]C)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|C<4>,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]C){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	123.8468	0.612	5	123.8468	0.374	5	122.1483	6.283	29	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|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]H){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	117.9880	0.000	1	117.9880	0.000	1	122.1483	6.283	29	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]I)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|I<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]I){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	125.9460	0.000	1	125.9460	0.000	1	122.1483	6.283	29	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]P)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	122.6462	0.820	6	122.6462	0.673	6	122.1483	6.283	29	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]S)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]S){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	122.7975	0.746	2	123.1420	0.424	4	122.1483	6.283	29	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]S)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|S<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]S){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	123.4865	0.490	2	123.1420	0.424	4	122.1483	6.283	29	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Se<2>,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]Se){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	121.2625	0.777	2	122.4280	4.377	3	122.1483	6.283	29	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Se<3>,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]Se){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	124.7590	0.000	1	122.4280	4.377	3	122.1483	6.283	29	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)2	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){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)2{2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	123.8120	0.436	2	123.8120	0.190	2	122.1483	6.283	29	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.1140	0.079	2	119.1140	0.006	2	119.1140	0.006	2	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]Br)2	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]Br)2{2|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	124.5990	2.847	3	124.5990	8.106	3	124.5990	8.106	3	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]Br){1|O<2>,3|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	122.9475	0.103	2	122.9475	0.011	2	122.9475	0.011	2	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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,6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(Br){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]Br){2|H<1>,6|C<3>}	Br(C[6a]C[6a,6a]C[6a])	123.0115	1.044	2	123.0115	1.091	2	122.5573	1.164	3	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]Br){1|Br<1>,3|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	121.6490	0.000	1	121.6490	0.000	1	122.5573	1.164	3	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	118.7065	0.593	2	118.7065	0.352	2	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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[5a,6a]H)(Br)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.2310	0.582	3	119.2310	0.339	3	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.7253	0.062	3	119.7237	0.003	4	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.7190	0.000	1	119.7237	0.003	4	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.9121	0.425	8	117.9121	0.181	8	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.0040	0.000	1	119.0040	0.000	1	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.2500	0.000	1	118.7415	0.517	2	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	118.2330	0.000	1	118.7415	0.517	2	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)2	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(Br){2|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)2{4|Br<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.9275	0.223	2	119.9275	0.050	2	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	118.4020	0.000	1	117.9128	0.465	4	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	118.1720	0.069	2	117.9128	0.465	4	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	116.9050	0.000	1	117.9128	0.465	4	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)2	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)2{2|C<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	122.8245	0.769	2	122.8245	0.591	2	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(C[6a]O[6a]O)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(C[6a]O[6a]O){2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	123.3780	0.000	1	123.3780	0.000	1	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	118.7080	0.000	1	119.5474	0.996	7	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|F<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.1850	0.840	4	119.5474	0.996	7	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.6920	0.099	2	119.5474	0.996	7	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){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]Br){3|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	118.7535	1.329	2	118.7535	1.765	2	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]Br){1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	123.1930	0.000	1	123.1930	0.000	1	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(C[6a]C[6a]Br){2|C<3>,2|O<2>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.5220	0.000	1	119.5220	0.000	1	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]2){4|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	123.4045	0.226	2	123.4045	0.051	2	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]B)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|B<3>,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>}	Br(C[6a]C[6a,6a]C[6a])	120.0028	0.563	6	120.0028	0.317	6	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]C)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]C){2|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	124.1217	0.075	3	123.8310	0.342	4	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]C)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]C){2|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	122.9590	0.000	1	123.8310	0.342	4	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){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]H){1|O<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.1900	0.000	1	119.6603	0.878	30	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	120.2250	0.819	2	119.6603	0.878	30	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.5110	0.000	1	119.6603	0.878	30	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.1926	0.318	5	119.6603	0.878	30	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.4674	0.715	5	119.6603	0.878	30	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.2840	1.266	2	119.6603	0.878	30	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	118.7237	1.322	6	119.6603	0.878	30	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.5910	0.000	1	119.6603	0.878	30	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Pt<6>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	120.7580	0.133	2	119.6603	0.878	30	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|S<2>}	Br(C[6a]C[6a,6a]C[6a])	120.7630	0.000	1	119.6603	0.878	30	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.6620	0.000	1	119.6603	0.878	30	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.9717	0.125	3	119.6603	0.878	30	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]N)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]N){2|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	123.4300	0.000	1	123.4300	0.000	1	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]P)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]P){2|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	122.3730	0.000	1	122.3730	0.000	1	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]S)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]S){2|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	124.3345	0.233	2	124.3345	0.054	2	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Se<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se){2|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	122.1550	0.681	3	122.1333	0.311	4	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Se<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se){2|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[6a])	122.0680	0.000	1	122.1333	0.311	4	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]N[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]N[6a]H){1|C<3>,1|N<2>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.9300	0.000	1	119.9300	0.000	1	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)2	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)2{2|Br<1>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	125.4483	0.420	4	125.4483	0.176	4	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]Br){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.6776	1.328	5	119.6776	1.764	5	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	120.2288	0.434	4	119.9132	0.172	19	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.8007	0.479	6	119.9132	0.172	19	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	120.1800	0.000	1	119.9132	0.172	19	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.6230	0.000	1	119.9132	0.172	19	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.8760	0.356	6	119.9132	0.172	19	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.5720	0.000	1	119.9132	0.172	19	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]O)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	124.9325	0.713	2	124.9325	0.509	2	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	122.9090	0.000	1	122.9090	0.000	1	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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[6])(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(Br){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	118.6480	0.000	1	118.6480	0.000	1	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]C)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]C){2|C<3>,2|H<1>,2|O<2>}	Br(C[6a]C[6a,6a]C[6a])	121.3950	0.340	3	121.3950	0.116	3	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	117.7680	0.000	1	119.9047	1.226	12	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	121.1700	1.167	2	119.9047	1.226	12	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.6420	1.372	2	119.9047	1.226	12	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	119.5110	0.391	5	119.9047	1.226	12	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	Br(C[6a]C[6a,6a]C[6a])	119.9545	0.040	2	119.9047	1.226	12	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)2	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)2{2|C<3>,2|H<1>,2|O<2>}	Br(C[6a]C[6a,6a]C[6a])	125.5405	1.237	2	125.5405	1.530	2	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.9570	0.000	1	119.0675	0.024	2	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.1780	0.000	1	119.0675	0.024	2	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]N)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(Br){1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	Br(C[6a]C[6a,6a]C[6a])	122.9940	0.000	1	122.9940	0.000	1	120.3599	4.006	143	120.0483	5.725	310	119.9754	5.099	362	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]Br)(Br)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]Br)(Br){1|C<3>,1|N<2>}	Br(C[6a]C[6a]N[6a])	121.6180	0.000	1	121.6180	0.000	1	121.6180	0.000	1	118.3503	1.781	12	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]Br)(H)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]Br)(H){2|C<3>}	Br(C[6a]C[6a]N[6a])	119.3215	0.227	2	119.3215	0.052	2	118.0533	0.795	11	118.3503	1.781	12	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Br)(H)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Br)(H){2|C<3>}	Br(C[6a]C[6a]N[6a])	118.9490	0.000	1	118.5235	0.362	2	118.0533	0.795	11	118.3503	1.781	12	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Br)(H)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Br)(H){2|C<3>}	Br(C[6a]C[6a]N[6a])	118.0980	0.000	1	118.5235	0.362	2	118.0533	0.795	11	118.3503	1.781	12	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]Br)(H)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]Br)(H){1|C<3>,1|N<2>}	Br(C[6a]C[6a]N[6a])	118.4580	0.000	1	118.4580	0.000	1	118.0533	0.795	11	118.3503	1.781	12	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Br)(H)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Br)(H){4|C<3>}	Br(C[6a]C[6a]N[6a])	117.2952	0.455	5	117.2952	0.207	5	118.0533	0.795	11	118.3503	1.781	12	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Br)(H)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Br)(H){2|C<3>}	Br(C[6a]C[6a]N[6a])	117.9620	0.000	1	117.9620	0.000	1	118.0533	0.795	11	118.3503	1.781	12	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	Br(C[6a]C[6a]N[6a])	121.0540	0.000	1	120.3098	0.385	10	120.3098	0.385	10	119.9804	0.694	13	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	Br(C[6a]C[6a]N[6a])	120.5302	0.209	5	120.3098	0.385	10	120.3098	0.385	10	119.9804	0.694	13	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	Br(C[6a]C[6a]N[6a])	119.9700	0.000	1	120.3098	0.385	10	120.3098	0.385	10	119.9804	0.694	13	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	Br(C[6a]C[6a]N[6a])	120.3235	0.166	2	120.3098	0.385	10	120.3098	0.385	10	119.9804	0.694	13	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	Br(C[6a]C[6a]N[6a])	118.7760	0.000	1	120.3098	0.385	10	120.3098	0.385	10	119.9804	0.694	13	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(O)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(Br){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(O){2|N<3>}	Br(C[6a]C[6a]N[6a])	118.8823	0.281	3	118.8823	0.079	3	118.8823	0.079	3	119.9804	0.694	13	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:2:2:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	119.5910	0.000	1	119.5910	0.000	1	119.5910	0.000	1	119.5910	0.000	1	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:2:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	118.9982	0.356	5	118.9982	0.127	5	118.9982	0.127	5	118.9982	0.127	5	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-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])(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Br)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Br)(H){1|S<4>,3|C<3>}	Br(C[6a]C[6a]N[6a])	116.1050	0.000	1	116.1050	0.000	1	116.1050	0.000	1	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br){1|Br<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	120.2340	0.955	2	120.1940	0.712	5	120.1940	0.712	5	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br){1|H<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	119.7700	0.000	1	120.1940	0.712	5	120.1940	0.712	5	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br){1|I<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	120.3660	1.302	2	120.1940	0.712	5	120.1940	0.712	5	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Cl)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Cl){1|I<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	120.3335	0.879	2	120.3335	0.773	2	120.3335	0.773	2	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]Br)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	Br(C[6a]C[6a]N[6a])	119.0190	0.148	2	119.0190	0.022	2	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	119.6275	0.097	2	119.6275	0.009	2	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	118.8635	0.299	2	118.6957	0.107	6	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	118.3825	0.332	2	118.6957	0.107	6	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|O<2>}	Br(C[6a]C[6a]N[6a])	118.8410	0.206	2	118.6957	0.107	6	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	116.5150	0.000	1	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|N<4>}	Br(C[6a]C[6a]N[6a])	119.1240	0.000	1	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){2|C<3>}	Br(C[6a]C[6a]N[6a])	119.0240	0.000	1	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	118.8437	0.686	24	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	118.9927	0.581	10	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	117.7040	0.000	1	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>}	Br(C[6a]C[6a]N[6a])	119.6700	0.181	3	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>}	Br(C[6a]C[6a]N[6a])	118.8450	0.000	1	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>}	Br(C[6a]C[6a]N[6a])	118.5870	0.346	2	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>}	Br(C[6a]C[6a]N[6a])	118.8053	0.499	4	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	119.5345	1.020	2	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>}	Br(C[6a]C[6a]N[6a])	121.0950	0.000	1	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){2|C<3>}	Br(C[6a]C[6a]N[6a])	118.8225	0.389	4	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>}	Br(C[6a]C[6a]N[6a])	119.3890	0.000	1	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>}	Br(C[6a]C[6a]N[6a])	119.4550	0.000	1	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	118.6475	1.220	20	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|Rh<8>,1|C<3>}	Br(C[6a]C[6a]N[6a])	118.1110	0.000	1	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){2|C<3>}	Br(C[6a]C[6a]N[6a])	119.2050	0.000	1	118.8526	0.794	79	118.8632	0.726	89	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I){1|Br<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	120.3850	0.935	2	120.5990	0.400	6	120.5990	0.400	6	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I){1|Cl<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	121.0430	0.368	2	120.5990	0.400	6	120.5990	0.400	6	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I){1|I<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	120.3690	0.632	2	120.5990	0.400	6	120.5990	0.400	6	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a]H)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>}	Br(C[6a]C[6a]N[6a])	119.7510	0.000	1	119.7510	0.000	1	119.7510	0.000	1	119.0376	1.029	104	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	118.1585	0.503	2	118.1585	0.253	2	118.1585	0.253	2	118.2780	0.169	3	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(OH)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	118.5170	0.000	1	118.5170	0.000	1	118.5170	0.000	1	118.2780	0.169	3	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(COO)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|Se<2>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(COO){1|C<3>,1|O<2>}	Br(C[6a]C[6a]N[6a])	119.4690	1.342	6	119.4690	1.801	6	120.0726	3.119	10	119.6253	2.187	19	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CC[6]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	119.1460	0.000	1	119.1460	0.000	1	120.0726	3.119	10	119.6253	2.187	19	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	121.5887	2.136	3	121.5887	4.564	3	120.0726	3.119	10	119.6253	2.187	19	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(C[5]N[5]2)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Br){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	Br(C[6a]C[6a]N[6a])	119.5490	0.000	1	119.5490	0.000	1	119.5490	0.000	1	119.6253	2.187	19	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]Br)(C[6a]C[6a]2){1|Br<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	118.9000	0.000	1	118.9000	0.000	1	119.7483	1.694	3	119.6253	2.187	19	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(C[6a]C[6a]N[6a])	121.2470	0.000	1	120.1725	2.309	2	119.7483	1.694	3	119.6253	2.187	19	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	119.0980	0.000	1	120.1725	2.309	2	119.7483	1.694	3	119.6253	2.187	19	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NCH)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	119.1560	0.000	1	119.1560	0.000	1	118.6722	0.329	5	119.6253	2.187	19	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	118.5512	0.584	4	118.5512	0.342	4	118.6722	0.329	5	119.6253	2.187	19	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>}	Br(C[6a]C[6a]N[6a])	119.5598	0.287	4	119.8170	0.393	5	119.8170	0.393	5	119.7385	0.351	6	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	120.8460	0.000	1	119.8170	0.393	5	119.8170	0.393	5	119.7385	0.351	6	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH3)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	119.3460	0.000	1	119.3460	0.000	1	119.3460	0.000	1	119.7385	0.351	6	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-2:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]Br)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]Br)(Br){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|N<3>}	Br(C[6a]C[6a]2)	120.4960	0.000	1	120.4960	0.000	1	120.4960	0.000	1	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	117.7824	0.919	12	118.2956	0.812	30	118.4226	0.870	39	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.8000	0.000	1	118.2956	0.812	30	118.4226	0.870	39	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.8946	0.588	12	118.2956	0.812	30	118.4226	0.870	39	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	117.7840	0.000	1	118.2956	0.812	30	118.4226	0.870	39	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.0403	0.859	4	118.2956	0.812	30	118.4226	0.870	39	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.9600	0.000	1	118.8458	0.929	9	118.4226	0.870	39	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.2155	0.416	2	118.8458	0.929	9	118.4226	0.870	39	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.4030	0.000	1	118.8458	0.929	9	118.4226	0.870	39	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.5636	1.251	5	118.8458	0.929	9	118.4226	0.870	39	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(Br)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]Br)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(Br){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]Br)(O){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	113.6683	0.875	3	113.6683	0.765	3	114.0220	0.530	6	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(Br)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]Br)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(Br){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]Br)(O){3|C<3>}	Br(C[6a]C[6a]2)	114.1285	0.049	2	114.1285	0.002	2	114.0220	0.530	6	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(Br)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]Br)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(Br){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]Br)(O){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	114.8700	0.000	1	114.8700	0.000	1	114.0220	0.530	6	117.8937	3.185	46	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-2:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(SC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S)(Br){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(SC){3|C<3>}	Br(C[6a]C[6a]2)	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-2:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[5a]N[5a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(Br){1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[5a]N[5a]2){1|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	119.7700	0.000	1	119.7700	0.000	1	119.7700	0.000	1	119.9765	0.085	2	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(Br){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	Br(C[6a]C[6a]2)	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	119.9765	0.085	2	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	Br(C[6a]C[5a,6a]C[6a])	120.2200	0.000	1	121.2265	2.026	2	121.2265	2.026	2	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H){1|N<2>,2|C<3>}	Br(C[6a]C[5a,6a]C[6a])	122.2330	0.000	1	121.2265	2.026	2	121.2265	2.026	2	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a,6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(Br){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	116.5120	0.000	1	116.5120	0.000	1	116.5120	0.000	1	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	121.9175	0.210	2	121.8620	0.198	5	121.8620	0.198	5	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	122.5230	0.000	1	121.8620	0.198	5	121.8620	0.198	5	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	121.4760	0.082	2	121.8620	0.198	5	121.8620	0.198	5	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	121.3950	0.099	2	121.0117	0.446	3	121.9690	2.121	5	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.2450	0.000	1	121.0117	0.446	3	121.9690	2.121	5	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Br){2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	122.8060	0.000	1	122.8060	0.000	1	121.9690	2.121	5	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	Br(C[6a]C[6a]2)	124.0040	0.000	1	124.0040	0.000	1	121.9690	2.121	5	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[5,6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[5,6a])(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	117.8040	0.000	1	118.2810	0.455	2	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[5,6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[5,6a])(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.7580	0.000	1	118.2810	0.455	2	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6,6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6,6a])(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.1700	0.000	2	120.1700	0.000	2	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.3425	0.849	2	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2930	0.006	2	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.3305	0.315	2	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.6315	0.333	2	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.9370	1.222	2	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.3265	0.129	2	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.7770	0.000	1	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.9648	0.569	11	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2620	0.000	1	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){3|C<3>}	Br(C[6a]C[6a]2)	117.8230	0.000	1	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.9850	0.178	2	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.9003	0.276	6	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2820	0.407	2	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Si<4>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.6545	0.135	2	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Sn<4>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.4910	0.601	2	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){4|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.9220	0.509	2	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){4|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.3676	0.470	8	118.7842	0.457	50	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	Br(C[6a]C[6a]2)	116.9560	0.000	1	116.9560	0.000	1	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.7612	0.515	4	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.8303	0.469	4	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0214	1.110	8	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.1400	0.000	1	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	120.2327	0.432	3	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<6>,1|H<1>}	Br(C[6a]C[6a]2)	119.7840	0.000	1	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.4216	0.137	5	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.6412	0.639	15	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<6>}	Br(C[6a]C[6a]2)	119.7993	0.690	3	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7540	0.896	3	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.6386	0.724	5	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	Br(C[6a]C[6a]2)	119.0020	0.000	1	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.7283	1.068	3	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.2540	0.000	1	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1260	0.000	2	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4968	0.858	9	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	121.0335	0.076	2	119.6424	0.685	70	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]N[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]Br)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.4200	0.000	1	118.4200	0.000	1	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.5133	0.507	3	119.5133	0.257	3	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.6800	0.000	1	116.9783	2.636	3	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	116.1275	0.964	2	116.9783	2.636	3	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|N<2>,2|C<4>}	Br(C[6a]C[6a]2)	118.5940	0.000	1	118.5940	0.000	1	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|N<2>}	Br(C[6a]C[6a]2)	121.4510	0.000	1	120.7555	0.967	2	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	120.0600	0.000	1	120.7555	0.967	2	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]S)(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	Br(C[6a]C[6a]2)	121.3748	0.730	4	121.3748	0.533	4	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)2(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	Br(C[6a]C[6a]2)	120.9700	0.000	1	121.0483	1.131	33	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)2(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	121.0108	0.617	8	121.0483	1.131	33	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)2(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|I<1>,1|N<2>}	Br(C[6a]C[6a]2)	121.4940	2.208	2	121.0483	1.131	33	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)2(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	121.0334	1.198	20	121.0483	1.131	33	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)2(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	Br(C[6a]C[6a]2)	120.9405	0.978	2	121.0483	1.131	33	119.6287	1.559	172	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	122.1385	0.491	2	121.9673	0.263	4	121.9673	0.263	4	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	121.7960	0.656	2	121.9673	0.263	4	121.9673	0.263	4	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(O){1|C<4>,2|N<3>}	Br(C[6a]C[6a]2)	117.8080	0.479	2	117.8080	0.230	2	117.8080	0.230	2	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]H)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6a]C[6a]2)	119.5310	0.000	1	120.3087	0.536	3	120.3087	0.536	3	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6a]C[6a]2)	120.9840	0.000	1	120.3087	0.536	3	120.3087	0.536	3	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]H)(Br){1|Pd<4>,1|C<3>}	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6a]C[6a]2)	120.4110	0.000	1	120.3087	0.536	3	120.3087	0.536	3	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	116.2000	0.000	1	116.2855	0.864	4	116.2855	0.864	4	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.5870	0.000	1	116.2855	0.864	4	116.2855	0.864	4	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br){1|Pd<4>,1|C<3>}	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	115.9530	0.000	1	116.2855	0.864	4	116.2855	0.864	4	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br){2|C<3>}	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(O){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	115.4020	0.000	1	116.2855	0.864	4	116.2855	0.864	4	119.7162	2.146	198	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.4480	0.000	1	121.4480	0.000	1	121.4480	0.000	1	120.5566	2.615	16	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.9500	0.000	1	118.9500	0.000	1	119.7468	0.734	5	120.5566	2.615	16	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2820	0.215	2	119.2820	0.046	2	119.7468	0.734	5	120.5566	2.615	16	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.0190	0.000	1	121.0190	0.000	1	119.7468	0.734	5	120.5566	2.615	16	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH){1|Cl<1>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	120.2010	0.000	1	120.2010	0.000	1	119.7468	0.734	5	120.5566	2.615	16	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	Br(C[6a]C[6a]2)	117.4820	0.595	2	117.4820	0.354	2	120.1397	4.537	6	120.5566	2.615	16	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:	C[6a](C[6a]N[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]O)2(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	Br(C[6a]C[6a]2)	121.4685	0.617	4	121.4685	0.381	4	120.1397	4.537	6	120.5566	2.615	16	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(SC[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]S)(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(SC[6a]){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	121.9712	0.397	4	121.9712	0.158	4	121.9712	0.158	4	120.5566	2.615	16	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.1795	0.639	2	120.1795	0.408	2	120.1795	0.408	2	120.9005	1.723	17	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7100	0.000	1	120.7100	0.000	1	120.5631	0.598	13	120.9005	1.723	17	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.6690	0.000	1	120.0954	0.119	5	120.5631	0.598	13	120.9005	1.723	17	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.0310	0.000	1	120.0954	0.119	5	120.5631	0.598	13	120.9005	1.723	17	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.2590	0.323	3	120.0954	0.119	5	120.5631	0.598	13	120.9005	1.723	17	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H){1|C<4>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	119.7650	0.000	1	119.7650	0.000	1	120.5631	0.598	13	120.9005	1.723	17	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	119.8250	0.000	1	119.8250	0.000	1	120.5631	0.598	13	120.9005	1.723	17	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|N<2>,2|H<1>}	Br(C[6a]C[6a]2)	122.2150	0.000	1	122.2150	0.000	1	120.5631	0.598	13	120.9005	1.723	17	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N)2(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	121.0820	0.447	4	121.0820	0.200	4	120.5631	0.598	13	120.9005	1.723	17	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(N[6]C[6]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	123.3290	0.000	1	123.3290	0.000	1	123.3290	0.000	1	120.9005	1.723	17	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O[6a]-2:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(COO){1|O<1>,2|C<3>}	Br(C[6a]C[6a]2)	124.3010	0.000	1	124.3010	0.000	1	124.3010	0.000	1	120.9005	1.723	17	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CC[5]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.1940	0.000	1	121.1940	0.000	1	121.2594	2.885	9	121.2594	2.885	9	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	121.4010	0.000	1	120.6853	1.918	3	121.2594	2.885	9	121.2594	2.885	9	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	121.5660	0.000	1	120.6853	1.918	3	121.2594	2.885	9	121.2594	2.885	9	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.0890	0.000	1	120.6853	1.918	3	121.2594	2.885	9	121.2594	2.885	9	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CCHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CCHN){1|C<4>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	123.4960	0.000	1	123.4960	0.000	1	121.2594	2.885	9	121.2594	2.885	9	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Br){1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	Br(C[6a]C[6a]2)	121.0070	0.000	1	121.0070	0.000	1	121.2594	2.885	9	121.2594	2.885	9	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	Br(C[6a]C[6a]2)	122.6610	0.509	2	122.6610	0.259	2	121.2594	2.885	9	121.2594	2.885	9	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	Br(C[6a]C[6a]2)	118.2600	0.000	1	118.2600	0.000	1	121.2594	2.885	9	121.2594	2.885	9	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	B[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]B[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]B[6a,6a]C[6a])	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]B[6a,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]B[6a,6a]C[6a])	115.2535	0.118	2	115.2535	0.014	2	115.2535	0.014	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	B[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]B[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]B[6a]C[6a])	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]B[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]B[6a]C[6a])	117.4870	0.576	2	117.4870	0.331	2	117.5943	0.346	4	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	B[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]B[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]B[6a]C[6a])	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]B[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]B[6a]C[6a])	117.7015	0.812	2	117.7015	0.660	2	117.5943	0.346	4	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[4,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	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)	Br(C[6a]C[4,6a]C[6a])	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>}	Br(C[6a]C[4,6a]C[6a])	119.8560	0.000	1	119.8560	0.000	1	119.8560	0.000	1	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]Br)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(Br){2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[5,6a]C[6a])	122.1930	1.665	4	122.1930	2.772	4	122.1930	2.772	4	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,4|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[5,6a]C[6a])	119.0120	0.000	1	121.5394	0.704	18	122.0734	1.083	29	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,2|C<3>}	Br(C[6a]C[5,6a]C[6a])	121.8143	0.242	16	121.5394	0.704	18	122.0734	1.083	29	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[5,6a]C[6a])	119.6690	0.000	1	121.5394	0.704	18	122.0734	1.083	29	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[5,6a]C[6a])	122.1660	0.000	1	122.1660	0.000	1	122.0734	1.083	29	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|Si<5>,1|C<3>,1|O<2>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[5,6a]C[6a])	123.1186	0.736	8	123.0255	0.462	10	122.0734	1.083	29	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|Si<6>,1|C<3>,1|O<2>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[5,6a]C[6a])	122.6530	0.119	2	123.0255	0.462	10	122.0734	1.083	29	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6,6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[5,6a]C[6a])	119.8130	0.000	1	119.8130	0.000	1	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a,6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a,6a]H)(H){3|C<3>}	Br(C[6a]C[5,6a]C[6a])	118.8270	0.694	2	118.8270	0.482	2	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br){1|N<3>,4|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	Br(C[6a]C[5,6a]C[6a])	116.0340	1.053	4	116.0340	1.109	4	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	117.7330	0.000	1	116.7995	1.743	2	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	115.8660	0.000	1	116.7995	1.743	2	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.6570	0.000	1	117.9970	0.678	5	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	116.8480	0.000	1	117.9970	0.678	5	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.5370	0.000	1	117.9970	0.678	5	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.5470	0.000	1	117.9970	0.678	5	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	117.3960	0.000	1	117.9970	0.678	5	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	116.8530	0.861	2	117.3304	1.748	11	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	117.9620	0.506	2	117.3304	1.748	11	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.3270	0.000	1	117.3304	1.748	11	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	116.3545	0.342	2	117.3304	1.748	11	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	115.7520	0.000	2	117.3304	1.748	11	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.2140	0.000	1	117.3304	1.748	11	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,3|N<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.2500	0.000	1	117.3304	1.748	11	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[5,6a]C[6a])	120.5860	0.000	1	120.5860	0.000	1	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.1050	0.000	1	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[5,6a]C[6a])	116.5197	0.602	6	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.2975	0.354	2	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[5,6a]C[6a])	119.6402	0.385	5	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.2235	0.678	2	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.3790	0.000	1	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.3770	0.000	1	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[5,6a]C[6a])	120.3200	0.000	1	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.5980	0.000	1	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	115.4160	0.000	1	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[5,6a]C[6a])	120.8110	0.000	1	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.8868	0.286	4	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.2580	0.000	1	118.7841	2.831	27	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[5,6a]C[6a])	120.4430	0.754	2	120.0622	0.405	5	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[5,6a]C[6a])	119.8105	0.754	2	120.0622	0.405	5	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[5,6a]C[6a])	119.8040	0.000	1	120.0622	0.405	5	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>}	Br(C[6a]C[5,6a]C[6a])	122.2500	0.983	4	120.2590	5.735	35	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	Br(C[6a]C[5,6a]C[6a])	123.0135	0.959	4	120.2590	5.735	35	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[5,6a]C[6a])	125.1020	0.000	1	120.2590	5.735	35	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	Br(C[6a]C[5,6a]C[6a])	122.0100	0.010	2	120.2590	5.735	35	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[5,6a]C[6a])	118.5940	0.256	2	120.2590	5.735	35	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[5,6a]C[6a])	120.6608	0.816	12	120.2590	5.735	35	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[5,6a]C[6a])	117.0523	0.875	9	120.2590	5.735	35	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[5,6a]C[6a])	120.3010	0.000	1	120.2590	5.735	35	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	Br(C[6a]C[5,6a]C[6a])	119.5110	0.000	1	119.5110	0.000	1	119.0688	4.752	94	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(Br)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5a,6a]Br)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(Br){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5a,6a]Br)(H){1|C<3>,1|N<2>,4|C<4>}	Br(C[6a]C[5a,6a]C[6a])	120.4740	0.000	1	120.4740	0.000	1	120.4740	0.000	1	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(Br){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[5a,6a]C[6a])	120.5250	0.000	1	120.5250	0.000	1	120.5250	0.000	1	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6,6a]Br)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|B<4>,1|C<3>,1|N<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6,6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[5a,6a]C[6a])	120.2210	0.000	1	120.2210	0.000	1	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[5a,6a]C[6a])	117.8384	0.436	5	118.1632	0.785	6	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[5a,6a]C[6a])	119.7870	0.000	1	118.1632	0.785	6	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|O<2>}	Br(C[6a]C[5a,6a]C[6a])	118.6725	0.107	2	116.8352	5.817	6	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[5a,6a]C[6a])	114.6720	0.424	3	116.8352	5.817	6	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[5a,6a]C[6a])	119.6500	0.000	1	116.8352	5.817	6	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[5a,6a]C[6a])	121.0205	0.577	4	121.0205	0.333	4	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	Br(C[6a]C[5a,6a]C[6a])	123.3155	0.443	2	121.4083	2.868	16	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>}	Br(C[6a]C[5a,6a]C[6a])	121.8492	0.644	4	121.4083	2.868	16	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|N<2>}	Br(C[6a]C[5a,6a]C[6a])	122.9120	0.000	1	121.4083	2.868	16	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[5a,6a]C[6a])	118.4850	0.000	1	121.4083	2.868	16	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[5a,6a]C[6a])	117.3790	0.000	1	121.4083	2.868	16	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	Br(C[6a]C[5a,6a]C[6a])	121.4510	0.000	1	121.4083	2.868	16	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	Br(C[6a]C[5a,6a]C[6a])	120.3575	0.309	2	121.4083	2.868	16	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>}	Br(C[6a]C[5a,6a]C[6a])	121.8480	0.000	1	121.4083	2.868	16	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|N<3>}	Br(C[6a]C[5a,6a]C[6a])	123.1620	0.000	1	121.4083	2.868	16	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[5a,6a]C[6a])	121.2765	0.936	2	121.4083	2.868	16	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){2|C<3>,2|O<2>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[5a,6a]C[6a])	120.8220	0.000	1	120.8220	0.000	1	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|O<2>}	Br(C[6a]C[5a,6a]C[6a])	120.9490	0.457	2	120.9490	0.209	2	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[5a,6a]C[6a])	122.4130	0.000	1	122.4130	0.000	1	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	Br(C[6a]C[5a,6a]C[6a])	120.6305	0.025	2	120.6305	0.001	2	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	Br(C[6a]C[5a,6a]C[6a])	120.1780	0.651	3	120.1780	0.424	3	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[5a,6a]C[6a])	121.1840	0.000	1	121.1840	0.000	1	120.1148	4.867	43	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6,6,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(Br){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6,6,6a]C[6a])	121.1935	0.170	2	121.1935	0.029	2	121.1935	0.029	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]H)(H)	Br(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)(Br){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6,6a]C[6a])	111.0070	0.000	1	115.9497	18.328	3	115.9497	18.328	3	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]H)(H)	Br(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)(Br){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6,6,6a]C[6a])	118.4210	0.103	2	115.9497	18.328	3	115.9497	18.328	3	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]Br)(Br)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]Br)(Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]Br)(Br){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]Br)(Br){1|N<3>,1|O<1>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	117.5785	1.038	4	117.5785	1.078	4	119.0078	5.601	6	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Br)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Br)(Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Br)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Br)(Br){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	121.8665	0.503	2	121.8665	0.253	2	119.0078	5.601	6	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Br)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	119.2240	0.257	2	119.2240	0.066	2	119.2240	0.066	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(Br)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]Br)(Br)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(Br){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]Br)(Br){5|C<3>}	Br(C[6a]C[6,6a]C[6a])	117.3040	0.448	2	117.3040	0.201	2	117.3040	0.201	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6,6a]C[6a])	119.1620	0.000	1	119.1620	0.000	1	119.3655	0.083	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(Br){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	119.5690	0.000	1	119.5690	0.000	1	119.3655	0.083	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(F)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(Br){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(F){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6a]C[6a])	117.8576	0.732	8	117.8576	0.536	8	117.8576	0.536	8	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6,6a]Br)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6,6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	120.4180	0.000	1	120.4180	0.000	1	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	116.6140	0.018	2	115.2212	3.654	4	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	115.0940	0.000	1	115.2212	3.654	4	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|Os<6>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	112.5630	0.000	1	115.2212	3.654	4	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(Br){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	Br(C[6a]C[6,6a]C[6a])	113.7790	0.000	1	113.7790	0.000	1	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6a]C[6a])	116.7440	0.000	1	116.5425	0.081	2	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(Br){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6a]C[6a])	116.3410	0.000	1	116.5425	0.081	2	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(Br){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6a]C[6a])	117.6290	0.000	1	117.6290	0.000	1	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	118.3430	0.000	1	118.3430	0.000	1	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<2>,1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>}	Br(C[6a]C[6,6a]C[6a])	114.6740	0.000	1	115.1420	0.438	2	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|O<1>,4|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	115.6100	0.000	1	115.1420	0.438	2	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	115.7120	0.000	1	117.1495	1.833	10	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6,6a]C[6a])	116.2790	0.130	2	117.1495	1.833	10	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6a]C[6a])	116.7350	0.000	1	117.1495	1.833	10	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	117.5377	0.374	3	117.1495	1.833	10	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	115.6280	0.000	1	117.1495	1.833	10	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	119.1245	1.370	2	117.1495	1.833	10	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	116.2440	0.000	1	116.2440	0.000	1	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6,6a]C[6a])	118.2690	0.540	2	118.2690	0.292	2	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br){1|C<3>,4|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6,6a]C[6a])	118.0445	0.686	6	118.0893	0.406	7	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br){2|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6,6a]C[6a])	118.3580	0.000	1	118.0893	0.406	7	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6,6a]C[6a])	118.5215	0.037	2	118.5215	0.001	2	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){2|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6,6a]C[6a])	114.8940	0.000	1	114.8940	0.000	1	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6,6a]C[6a])	117.3680	0.000	1	117.5715	0.090	4	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<3>}	Br(C[6a]C[6,6a]C[6a])	117.4515	0.045	2	117.5715	0.090	4	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6,6a]C[6a])	118.0150	0.000	1	117.5715	0.090	4	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6,6a]C[6a])	119.5860	0.000	1	119.5860	0.000	1	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6,6a]C[6a])	118.8080	0.000	1	118.8080	0.000	1	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6,6a]C[6a])	118.9213	0.344	3	119.6495	0.430	11	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6,6a]C[6a])	119.1990	0.218	2	119.6495	0.430	11	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,2|O<2>}	Br(C[6a]C[6,6a]C[6a])	120.1638	0.295	6	119.6495	0.430	11	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|C<4>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6,6a]C[6a])	120.2830	0.000	2	120.2830	0.000	2	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Cl<1>,1|C<3>,2|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>}	Br(C[6a]C[6,6a]C[6a])	119.4500	0.000	1	119.3603	0.015	3	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Cl<1>,1|C<4>,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>}	Br(C[6a]C[6,6a]C[6a])	119.3155	0.131	2	119.3603	0.015	3	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6,6a]C[6a])	119.4915	0.206	2	119.4915	0.042	2	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|O<2>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>}	Br(C[6a]C[6,6a]C[6a])	119.8520	0.000	1	119.8520	0.000	1	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Br){1|C<4>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<4>}	Br(C[6a]C[6,6a]C[6a])	117.6450	0.000	2	117.5678	0.661	4	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<2>}	Br(C[6a]C[6,6a]C[6a])	117.4905	1.399	2	117.5678	0.661	4	117.9663	3.044	64	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5,6a]H)(Br)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5,6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a,6a]Br)(H){1|H<1>,5|C<3>}	Br(C[6a]C[6a,6a]C[6a])	116.9210	0.328	2	116.9210	0.108	2	117.3752	0.315	4	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]Br)(H){1|C<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.8295	0.103	2	117.8295	0.011	2	117.3752	0.315	4	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(Br)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H){4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.1330	0.153	3	117.1330	0.023	3	117.1330	0.023	3	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]Br)(Br)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]Br)(Br){5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(Br){1|O<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.3595	0.534	2	119.3595	0.285	2	119.3595	0.285	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(Br)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(H){1|O<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.7980	0.000	1	117.7980	0.000	1	116.3837	6.656	7	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(Br){5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(H){1|N<3>,1|O<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	112.7335	1.078	2	112.7335	1.163	2	116.3837	6.656	7	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a,6a]C[6a])	118.1853	0.281	3	118.1853	0.079	3	116.3837	6.656	7	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]Br)(H){2|C<3>,3|C<4>}	Br(C[6a]C[6a,6a]C[6a])	116.8650	0.000	1	116.8650	0.000	1	116.3837	6.656	7	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Br)(Br)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Br)(Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Br)(Br){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Br)(Br){1|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.7761	0.597	16	120.7761	0.357	16	120.8308	0.355	30	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Br)(Br)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Br)(Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Br)(Br){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Br)(Br){1|N<2>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	121.6600	0.549	2	121.6600	0.301	2	120.8308	0.355	30	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]Br)(Br)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]Br)(Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]Br)(Br){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]Br)(Br){1|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	121.1552	0.732	4	121.1552	0.536	4	120.8308	0.355	30	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(Br){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(Br){1|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.5709	0.307	8	120.5709	0.094	8	120.8308	0.355	30	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(Br){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Br)(H){1|N<3>,1|O<1>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.6240	0.436	3	114.6240	0.190	3	117.1627	7.471	12	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(Br)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(Br){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Br)(H){1|N<2>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.2305	0.320	4	120.2305	0.102	4	117.1627	7.471	12	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(Br){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	113.9065	1.064	2	113.9065	1.133	2	117.1627	7.471	12	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	116.9700	0.000	1	117.7817	0.511	3	117.1627	7.471	12	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(H){1|N<2>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.0560	0.000	1	117.7817	0.511	3	117.1627	7.471	12	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(H){5|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.3190	0.000	1	117.7817	0.511	3	117.1627	7.471	12	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a,6a]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(O)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a,6a]O)(Br){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(O){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.1390	0.000	1	118.1390	0.000	1	118.1390	0.000	1	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(Br){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.7045	0.066	2	118.7045	0.004	2	120.6208	5.256	4	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Br)(Br){1|Br<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a,6a]C[6a])	122.5370	1.037	2	122.5370	1.075	2	120.6208	5.256	4	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Cl)(Cl)	Br(C[6a]C[6a,6a]C[6a])	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>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Cl)(Cl){1|Br<1>,1|C<3>,1|N<2>}	Br(C[6a]C[6a,6a]C[6a])	121.0755	0.090	2	121.0755	0.008	2	121.0755	0.008	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(Br){1|F<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]F)(F){1|Br<1>,1|C<3>,1|N<2>}	Br(C[6a]C[6a,6a]C[6a])	120.0045	0.168	2	120.0045	0.028	2	120.0045	0.028	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]Cl)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]Cl)(H){3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	112.7631	1.081	8	112.7631	1.168	8	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]H)(H){3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.9980	1.002	3	117.9980	1.004	3	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]O)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]O)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.4320	0.000	1	117.4320	0.000	1	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]Pt)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br){1|Pt<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]Pt)(H){3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.3380	0.000	1	114.3380	0.000	1	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]S)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]S)(H){3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.6690	0.000	1	117.6690	0.000	1	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|As<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.9900	0.000	2	114.9553	2.787	26	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H){3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.2165	2.337	2	114.9553	2.787	26	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.3960	0.249	2	114.9553	2.787	26	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	113.7380	0.488	5	114.9553	2.787	26	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	111.7400	0.000	1	114.9553	2.787	26	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	115.0590	1.258	6	114.9553	2.787	26	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.5775	0.221	2	114.9553	2.787	26	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|S<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.7380	0.850	2	114.9553	2.787	26	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	115.2450	0.602	2	114.9553	2.787	26	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Se<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	115.8620	0.000	1	114.9553	2.787	26	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.8670	0.000	1	114.9553	2.787	26	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5a,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[5a,6a]H)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.0515	0.463	2	119.0515	0.215	2	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6,6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6,6a]H)(H){3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	112.2950	1.644	3	112.2950	2.702	3	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.7130	0.000	1	114.7130	0.000	1	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.5545	0.568	2	114.5545	0.322	2	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.0495	0.394	4	118.1099	0.245	11	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.2005	0.606	6	118.1099	0.245	11	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.8080	0.000	1	118.1099	0.245	11	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.8720	0.000	1	117.7190	0.534	3	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.6425	1.016	2	117.7190	0.534	3	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	116.6734	0.624	7	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	112.3100	0.189	4	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	115.2660	0.000	1	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	113.0517	0.425	3	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.4350	0.279	2	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	112.2030	0.000	1	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	115.6970	0.000	1	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.5580	0.000	1	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.7630	0.000	1	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	112.5290	0.305	2	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.3513	0.245	3	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.7500	0.916	5	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.5610	0.000	1	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.9430	0.000	1	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.1290	0.914	6	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.0067	0.624	3	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Se<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	114.8380	0.000	1	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.5373	0.516	6	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.3850	0.413	4	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|F<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	116.9688	0.988	4	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.2892	0.527	6	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.9290	1.868	2	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.3768	0.794	5	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	116.9060	0.273	2	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|Pt<6>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.6210	0.912	2	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|S<2>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.4010	0.000	1	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.7827	0.107	3	116.8126	5.307	78	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.4100	0.000	1	118.4100	0.000	1	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]N[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]N[6a]H)(H){2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.4600	0.000	1	119.4600	0.000	1	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a,6a]C[6a])	118.7496	0.280	11	118.7496	0.078	11	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a,6a]C[6a])	119.1450	0.658	2	119.0773	0.230	3	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a,6a]C[6a])	118.9420	0.000	1	119.0773	0.230	3	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	Br(C[6a]C[6a,6a]C[6a])	119.3355	1.529	2	119.0657	0.679	9	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a,6a]C[6a])	119.3250	0.000	1	119.0657	0.679	9	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	Br(C[6a]C[6a,6a]C[6a])	118.9426	0.833	5	119.0657	0.679	9	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a,6a]C[6a])	118.8820	0.000	1	119.0657	0.679	9	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a,6a]C[6a])	118.4890	0.000	1	118.4890	0.000	1	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a,6a]C[6a])	120.4890	0.000	1	120.4890	0.000	1	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a,6a]C[6a])	120.2040	0.000	1	120.2040	0.000	1	116.7206	5.881	168	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]N)(O)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]N)(O){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	115.4230	0.000	1	115.4230	0.000	1	117.8730	4.971	3	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(O)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br){1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(O){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a,6a]C[6a])	119.0980	0.969	2	119.0980	0.938	2	117.8730	4.971	3	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]Br)(Br)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	Br(C[6a]C[6a]2)	116.6705	0.289	2	116.6705	0.084	2	116.6705	0.084	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,4|C<4>}	Br(C[6a]C[6a]2)	120.4010	0.000	1	119.5386	0.228	18	119.5002	0.376	29	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,2|C<3>,3|C<4>}	Br(C[6a]C[6a]2)	120.3650	0.000	1	119.5386	0.228	18	119.5002	0.376	29	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.4330	0.389	16	119.5386	0.228	18	119.5002	0.376	29	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|Si<5>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	119.2501	0.755	8	119.2997	0.500	10	119.5002	0.376	29	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|Si<6>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	119.4980	0.639	2	119.2997	0.500	10	119.5002	0.376	29	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	120.8160	0.000	1	120.8160	0.000	1	119.5002	0.376	29	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]F)(C[6a]C[6a]F)(Br)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Br)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]F)(C[6a]C[6a]F)(Br){1|C<3>,1|F<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Br)(F){1|F<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	121.1175	0.883	2	121.1175	0.780	2	121.1175	0.780	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]H)(Br)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]H)(Br){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	120.0450	0.000	1	120.0450	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]2)(Br)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.0590	0.000	1	117.0590	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|Br<1>,2|C<3>,3|C<4>}	Br(C[6a]C[6a]2)	118.3458	0.707	6	118.3458	0.500	6	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.3547	0.720	6	117.9633	0.917	8	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	116.7890	0.383	2	117.9633	0.917	8	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	116.7542	0.805	4	117.0455	0.782	6	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	117.6280	0.974	2	117.0455	0.782	6	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Br){1|Br<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,4|C<3>}	Br(C[6a]C[6a]2)	116.9775	1.044	2	117.1492	1.075	12	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,4|C<3>}	Br(C[6a]C[6a]2)	117.1835	1.088	10	117.1492	1.075	12	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>}	Br(C[6a]C[6a]2)	116.6360	0.000	1	116.6360	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	Br(C[6a]C[6a]2)	118.5410	0.000	1	118.5410	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	117.9200	0.000	1	117.9200	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.3190	0.000	1	118.3190	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){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]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	Br(C[6a]C[6a]2)	118.2960	0.000	1	118.2960	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|B<3>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.9735	1.115	2	118.7292	6.735	10	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	117.8805	7.564	2	118.7292	6.735	10	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.0115	0.561	2	118.7292	6.735	10	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|Si<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.8903	0.079	4	118.7292	6.735	10	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	121.1085	3.512	2	120.4780	7.360	3	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	Br(C[6a]C[6a]2)	119.2170	0.000	1	120.4780	7.360	3	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	119.3000	0.000	1	119.3000	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	Br(C[6a]C[6a]2)	118.3420	0.000	1	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	118.6865	0.131	2	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	Br(C[6a]C[6a]2)	118.7890	0.000	1	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	118.8753	1.017	3	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	118.7680	0.000	1	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	119.3275	0.540	2	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.0337	0.552	4	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.0832	1.021	5	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	118.8219	0.993	11	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	118.6300	0.219	2	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0103	1.222	3	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	118.7600	0.000	1	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.2360	0.000	1	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	119.0960	0.105	4	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	118.6935	0.328	4	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	Br(C[6a]C[6a]2)	118.8047	0.191	4	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,2|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	117.0720	0.000	1	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	119.2767	0.650	14	118.9337	0.534	64	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	117.9820	0.000	1	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	Br(C[6a]C[6a]2)	118.6380	0.000	1	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	117.8490	0.000	1	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	Br(C[6a]C[6a]2)	118.3960	0.423	2	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	118.7970	0.000	1	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,2|H<1>,3|C<4>}	Br(C[6a]C[6a]2)	119.1440	0.000	1	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.6330	1.026	3	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	118.2060	0.419	2	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	119.1340	0.668	5	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	118.6410	0.000	1	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.8640	0.000	1	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	118.9970	0.000	1	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	119.8890	0.000	1	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,4|C<3>}	Br(C[6a]C[6a]2)	118.2213	0.120	3	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	Br(C[6a]C[6a]2)	118.3215	0.045	2	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	118.7060	0.745	6	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|S<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	118.9845	0.141	2	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.4540	0.000	1	118.6726	0.378	35	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	118.6800	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	118.2090	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.2240	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<2>,1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	118.9805	1.104	2	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	118.2348	0.847	5	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	Br(C[6a]C[6a]2)	118.7117	0.736	7	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Br(C[6a]C[6a]2)	118.7593	0.381	3	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	118.4000	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	119.3500	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	118.3410	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	117.7790	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.4947	0.785	14	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	118.3402	0.719	6	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.5860	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	118.3766	0.696	11	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.4960	0.468	2	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6394	0.540	5	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.0758	0.547	17	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.0403	0.836	3	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	118.5595	0.378	4	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	118.7140	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,3|N<3>}	Br(C[6a]C[6a]2)	118.1210	1.459	2	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	Br(C[6a]C[6a]2)	119.3022	1.244	18	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	118.6730	0.610	3	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	118.5130	0.498	2	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.0230	0.547	3	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	118.4700	0.772	3	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){2|C<3>,2|H<1>,2|O<2>}	Br(C[6a]C[6a]2)	119.2950	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	119.8430	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.4200	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	118.8963	0.529	3	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.2760	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|As<2>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.4140	0.245	2	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	Br(C[6a]C[6a]2)	119.2173	0.369	4	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.6815	0.177	2	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	Br(C[6a]C[6a]2)	119.1907	0.681	3	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.1020	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.1837	0.233	3	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.4490	0.901	2	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	118.5321	0.180	7	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.4190	0.435	3	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.1171	1.024	23	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	118.1020	0.098	4	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.0170	0.000	2	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.6517	0.352	3	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|P<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.7075	0.945	2	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	118.3003	1.011	12	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	117.5760	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.0560	0.000	1	118.7824	0.690	201	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.4855	0.042	2	117.7508	0.440	34	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	Br(C[6a]C[6a]2)	116.6157	0.945	3	117.7508	0.440	34	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,3|C<4>}	Br(C[6a]C[6a]2)	118.4280	0.000	1	117.7508	0.440	34	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	117.9117	0.830	7	117.7508	0.440	34	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.7170	0.557	2	117.7508	0.440	34	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	117.7596	0.404	16	117.7508	0.440	34	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.1610	0.000	1	117.7508	0.440	34	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	117.5280	0.000	1	117.7508	0.440	34	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	117.6220	0.000	1	117.7508	0.440	34	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.0660	0.447	2	118.0660	0.200	2	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	119.8090	0.000	1	119.8090	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	119.0182	0.790	4	119.0182	0.624	4	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	118.3937	0.368	4	118.3937	0.135	4	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|C<4>}	Br(C[6a]C[6a]2)	119.1398	0.744	5	119.1398	0.553	5	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	Br(C[6a]C[6a]2)	118.1370	0.000	1	118.1370	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|C<4>}	Br(C[6a]C[6a]2)	120.1883	0.311	3	119.8300	0.578	4	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,2|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.7550	0.000	1	119.8300	0.578	4	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	119.3225	1.213	2	119.3133	1.193	4	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.3040	1.452	2	119.3133	1.193	4	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>}	Br(C[6a]C[6a]2)	118.0710	0.000	1	118.0710	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	Br(C[6a]C[6a]2)	119.4070	0.000	1	119.4070	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1350	0.000	1	119.1350	0.000	1	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>}	Br(C[6a]C[6a]2)	115.4720	0.144	2	115.7993	1.023	4	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>}	Br(C[6a]C[6a]2)	114.9820	0.000	1	115.7993	1.023	4	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.2710	0.000	1	115.7993	1.023	4	118.6076	1.099	419	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(Cl)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Br){1|C<3>,1|H<1>,1|N<2>}	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>}	Br(C[6a]C[6a]2)	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]H)(Br)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]H)(Br){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|S<4>,3|C<3>}	Br(C[6a]C[6a]2)	117.2640	0.000	1	117.2640	0.000	1	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	118.1637	0.165	3	118.1637	0.027	3	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	118.1080	0.000	1	118.0592	0.176	5	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	117.6505	0.121	2	118.0592	0.176	5	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){2|Br<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	118.4435	0.241	2	118.0592	0.176	5	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,3|C<3>}	Br(C[6a]C[6a]2)	117.6495	0.566	4	117.5735	0.223	8	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	117.6253	0.422	3	117.5735	0.223	8	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,4|C<3>}	Br(C[6a]C[6a]2)	117.1140	0.000	1	117.5735	0.223	8	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|N<3>,4|C<3>}	Br(C[6a]C[6a]2)	116.6500	0.000	1	116.6500	0.000	1	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.0130	0.000	1	119.0130	0.000	1	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	121.0203	2.365	3	119.0753	0.649	89	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.0790	0.000	1	119.0753	0.649	89	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.0095	0.641	83	119.0753	0.649	89	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.3590	0.000	1	119.0753	0.649	89	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|S<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.4150	0.000	1	119.0753	0.649	89	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	118.5502	0.593	17	118.5946	0.366	18	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.3500	0.000	1	118.5946	0.366	18	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	Br(C[6a]C[6a]2)	118.4230	0.618	11	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	Br(C[6a]C[6a]2)	118.4445	0.299	4	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	118.6080	0.000	1	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<4>}	Br(C[6a]C[6a]2)	118.6480	0.000	1	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	Br(C[6a]C[6a]2)	119.4790	0.000	1	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	118.8124	0.885	55	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	117.1600	0.000	1	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	119.8310	0.000	1	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.5223	0.610	7	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	118.8692	0.595	24	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.3420	0.000	1	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.7513	1.132	3	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	Br(C[6a]C[6a]2)	118.5676	0.397	24	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	Br(C[6a]C[6a]2)	118.1333	0.307	4	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.0362	0.676	5	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5158	0.205	5	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1022	0.555	4	118.7452	0.524	152	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.1770	0.000	1	118.1135	0.008	2	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.0500	0.000	1	118.1135	0.008	2	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.6640	0.000	1	118.3367	0.659	32	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.1722	0.649	6	118.3367	0.659	32	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	117.9960	0.827	8	118.3367	0.659	32	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	118.1683	0.162	3	118.3367	0.659	32	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.4716	0.715	14	118.3367	0.659	32	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	117.3920	0.000	1	118.0485	0.862	2	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.7050	0.000	1	118.0485	0.862	2	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.2436	0.727	8	118.9499	0.795	10	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	117.7750	0.000	2	118.9499	0.795	10	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|N<3>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.8550	0.000	1	118.8550	0.000	1	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|O<2>,4|C<3>}	Br(C[6a]C[6a]2)	118.8900	1.107	2	118.7634	0.441	5	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.6790	0.491	3	118.7634	0.441	5	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	Br(C[6a]C[6a]2)	120.5850	0.462	2	120.1722	0.567	5	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1790	0.000	1	120.1722	0.567	5	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	Br(C[6a]C[6a]2)	120.2560	0.844	2	120.1722	0.567	5	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	120.1775	0.623	4	119.5725	0.675	29	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	119.9731	0.853	12	119.5725	0.675	29	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	118.7870	0.404	7	119.5725	0.675	29	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	119.0770	0.000	1	119.5725	0.675	29	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1683	0.365	3	119.5725	0.675	29	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	119.5625	0.189	2	119.5725	0.675	29	118.8179	0.725	364	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(Br)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(Br){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(O){2|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	115.7505	0.374	2	115.7505	0.140	2	115.7505	0.140	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]Br)(Br)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(Br){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	120.1950	0.395	2	120.1950	0.156	2	120.1950	0.156	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	117.8545	0.339	12	117.9212	0.155	18	117.9212	0.155	18	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(H){1|Br<1>,2|C<4>,3|C<3>}	Br(C[6a]C[6a]2)	118.0545	0.491	6	117.9212	0.155	18	117.9212	0.155	18	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]H)(Br)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]H)(Br){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	116.8640	0.000	1	116.8640	0.000	1	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]H)(Br)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]H)(Br){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	118.1250	0.000	1	118.1250	0.000	1	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(Br)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,3|O<2>}	Br(C[6a]C[6a]2)	117.7490	0.233	2	117.7490	0.054	2	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.7370	0.000	1	118.7370	0.000	1	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.8950	0.000	1	117.8950	0.000	1	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,5|C<4>}	Br(C[6a]C[6a]2)	116.4210	0.000	1	116.4210	0.000	1	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,5|C<4>}	Br(C[6a]C[6a]2)	117.1190	0.307	2	117.1190	0.094	2	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Br)(H){1|C<3>,4|C<4>}	Br(C[6a]C[6a]2)	117.3725	0.200	2	117.3725	0.040	2	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|F<1>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	119.4254	0.498	8	119.4254	0.248	8	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){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]Br)(H){1|C<3>,1|H<1>,4|C<4>}	Br(C[6a]C[6a]2)	119.5350	0.000	1	119.5350	0.000	1	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.9420	0.979	4	118.9420	0.958	4	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.9330	0.000	1	119.0415	0.594	6	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.2580	0.000	1	119.0415	0.594	6	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.6370	0.000	1	119.0415	0.594	6	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.0860	0.000	1	119.0415	0.594	6	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.1675	0.514	2	119.0415	0.594	6	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]B[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|B<4>,1|C<3>,1|H<1>}	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>}	Br(C[6a]C[6a]2)	118.9130	0.000	1	118.9130	0.000	1	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	118.9348	0.986	10	118.9348	0.973	10	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	119.2365	0.725	2	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	119.2784	0.364	9	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	Br(C[6a]C[6a]2)	118.9885	0.153	2	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	Br(C[6a]C[6a]2)	118.6670	0.000	1	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	Br(C[6a]C[6a]2)	119.3190	0.000	1	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	118.6252	0.301	4	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	119.4363	0.417	9	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	Br(C[6a]C[6a]2)	118.7830	0.228	2	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.9090	0.139	2	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.9770	0.000	1	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	120.3485	0.407	2	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0055	0.077	2	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.8160	0.000	1	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,4|C<3>}	Br(C[6a]C[6a]2)	119.1760	0.824	2	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3300	0.000	1	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	120.0180	0.000	1	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	119.0020	0.000	1	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	Br(C[6a]C[6a]2)	118.5290	0.000	1	119.2838	0.327	44	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	119.3090	0.758	3	119.5715	0.348	25	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	119.0920	0.000	1	119.5715	0.348	25	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	119.8664	0.639	8	119.5715	0.348	25	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2575	0.890	2	119.5715	0.348	25	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4883	0.462	7	119.5715	0.348	25	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|H<1>,2|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.3463	0.230	3	119.5715	0.348	25	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.3660	0.000	1	119.5715	0.348	25	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|N<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.0498	0.438	4	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5560	0.827	2	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5790	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<2>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	119.7500	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|C<2>}	Br(C[6a]C[6a]2)	119.7260	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	Br(C[6a]C[6a]2)	118.6280	0.055	2	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	119.1604	0.422	5	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.1522	0.898	8	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	119.8700	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	Br(C[6a]C[6a]2)	118.3145	0.832	2	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Br(C[6a]C[6a]2)	119.5320	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	Br(C[6a]C[6a]2)	119.1210	0.216	4	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	Br(C[6a]C[6a]2)	117.5930	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,4|C<4>}	Br(C[6a]C[6a]2)	118.6760	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	117.7270	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	Br(C[6a]C[6a]2)	119.4590	0.115	2	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	Br(C[6a]C[6a]2)	119.3768	0.443	5	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	119.2340	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,1|O<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.4160	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	118.7808	0.853	15	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	119.1935	0.651	8	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|N<3>,3|H<1>}	Br(C[6a]C[6a]2)	118.9900	0.641	4	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.9845	0.550	4	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	119.6630	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4595	0.402	6	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.7460	0.808	7	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.4050	1.324	2	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	119.5530	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	119.6040	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|N<3>,1|N<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3400	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.9694	0.401	7	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	118.7575	0.286	2	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	118.2340	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	119.6726	0.671	7	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	Br(C[6a]C[6a]2)	119.9410	0.437	5	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.7457	0.675	3	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	Br(C[6a]C[6a]2)	119.4107	0.730	3	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	119.4820	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.5970	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.3720	0.293	4	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.1250	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7980	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.0690	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.1927	0.739	3	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.7260	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3031	0.245	8	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|S<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.7230	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	121.3460	0.000	1	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.4580	0.727	2	119.2000	0.492	147	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,3|C<4>}	Br(C[6a]C[6a]2)	117.7230	0.000	1	117.4535	0.145	2	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	117.1840	0.000	1	117.4535	0.145	2	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	118.9810	0.380	2	118.9810	0.145	2	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,3|C<4>}	Br(C[6a]C[6a]2)	118.2265	0.221	2	118.2265	0.049	2	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.9465	0.763	2	118.6509	1.184	10	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	119.6010	0.000	1	118.6509	1.184	10	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	Br(C[6a]C[6a]2)	119.9500	0.000	1	118.6509	1.184	10	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	Br(C[6a]C[6a]2)	118.8010	0.000	1	118.6509	1.184	10	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,3|C<4>}	Br(C[6a]C[6a]2)	117.3925	0.218	2	118.6509	1.184	10	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.3180	0.000	1	118.6509	1.184	10	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.1850	0.000	1	118.6509	1.184	10	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	117.9760	0.000	1	118.6509	1.184	10	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H){1|B<4>,1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.2010	0.088	2	118.7057	0.209	11	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.3555	0.537	2	118.7057	0.209	11	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.9500	0.323	7	118.7057	0.209	11	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	119.4980	0.000	1	119.4980	0.000	1	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]Br)(H){1|Pt<4>,1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	119.9120	0.345	4	119.9120	0.119	4	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]N)(Br)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,4|C<4>}	Br(C[6a]C[6a]2)	118.5570	0.000	1	118.5570	0.000	1	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]N)(Br)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|N<4>,2|C<3>}	Br(C[6a]C[6a]2)	117.0750	0.000	1	117.0750	0.000	1	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	Br(C[6a]C[6a]2)	120.3130	0.000	1	119.4583	0.216	7	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4377	0.278	4	119.4583	0.216	7	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Br){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0720	0.178	2	119.4583	0.216	7	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	Br(C[6a]C[6a]2)	120.4210	0.000	2	120.4210	0.000	2	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)2(Br)	C[6a](C[6,6a]C[6,6,6a]C[5,6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)2(Br){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	119.9565	0.619	2	119.9565	0.383	2	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)2(Br)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)2(Br){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	119.9338	0.987	6	119.7936	1.263	8	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)2(Br)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)2(Br){3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.3730	1.871	2	119.7936	1.263	8	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(Br)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(Br){3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]Br)(H){1|O<1>,2|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	117.4820	0.000	1	117.4820	0.000	1	119.1482	0.666	311	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(Br){2|Br<1>,3|C<3>}	Br(C[6a]C[6a]2)	121.0585	0.129	2	121.0585	0.017	2	120.2378	0.907	4	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Br)(Br){1|Br<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.4170	0.092	2	119.4170	0.008	2	120.2378	0.907	4	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(Br){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(F){1|F<1>,3|C<3>}	Br(C[6a]C[6a]2)	121.1308	0.246	4	121.1308	0.061	4	121.1308	0.061	4	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(Br){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	121.6690	0.000	1	121.6690	0.000	1	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.8262	0.520	12	118.8520	0.210	18	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|Br<1>,1|Pt<6>,3|C<3>}	Br(C[6a]C[6a]2)	118.7280	0.044	2	118.8520	0.210	18	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|Br<1>,4|C<3>}	Br(C[6a]C[6a]2)	118.9915	0.395	4	118.8520	0.210	18	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.1522	0.432	5	118.1522	0.187	5	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|C<2>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.1655	0.161	2	119.1655	0.026	2	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|F<1>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	121.5460	0.000	1	121.5460	0.000	1	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.8400	0.000	1	119.8400	0.000	1	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.6005	0.105	2	119.1160	0.710	3	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	118.1470	0.000	1	119.1160	0.710	3	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.2200	0.115	2	119.3024	0.226	30	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.3890	0.000	1	119.3024	0.226	30	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	120.0650	0.000	1	119.3024	0.226	30	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.2761	0.487	26	119.3024	0.226	30	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.5140	0.000	1	119.5140	0.000	1	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.7722	0.411	5	119.5604	0.181	10	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.2865	0.378	4	119.5604	0.181	10	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.5970	0.000	1	119.5604	0.181	10	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.3940	0.000	1	118.8435	0.606	2	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.2930	0.000	1	118.8435	0.606	2	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.2470	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9973	0.747	11	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.9540	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	Br(C[6a]C[6a]2)	120.1925	1.351	2	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	Br(C[6a]C[6a]2)	118.0380	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.7210	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.7255	0.773	2	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.4270	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.3890	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	Br(C[6a]C[6a]2)	119.8000	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.6840	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.8117	0.515	3	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.1275	0.322	2	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.5196	0.916	7	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.6480	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.0309	0.739	7	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2952	0.644	16	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.8775	0.117	2	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5352	0.906	10	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|Pt<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.4645	0.870	4	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|Pt<6>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.4080	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.8192	0.971	89	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.2900	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.6450	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.3780	0.000	1	119.6701	0.791	168	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	117.9190	0.000	1	117.9190	0.000	1	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.3102	0.598	4	119.2801	0.245	7	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.0210	0.317	2	119.2801	0.245	7	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|B<3>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.6780	0.000	1	119.2801	0.245	7	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.2210	0.000	1	118.9750	0.533	4	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.8930	0.871	3	118.9750	0.533	4	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	114.8100	0.000	1	117.0165	9.737	2	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.2230	0.000	1	117.0165	9.737	2	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.5050	0.000	1	119.9512	0.859	20	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.9204	1.032	10	119.9512	0.859	20	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	120.5030	0.000	1	119.9512	0.859	20	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.9764	0.942	8	119.9512	0.859	20	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]Si)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Si)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|Si<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	116.1020	0.000	1	116.1020	0.000	1	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	120.3710	0.000	1	120.3710	0.000	1	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	121.4820	0.358	2	121.4820	0.128	2	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.6973	1.586	3	120.6973	2.516	3	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	120.7140	0.000	1	120.4927	0.123	3	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	120.3820	0.414	2	120.4927	0.123	3	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|O<1>,2|N<2>,2|N<3>}	Br(C[6a]C[6a]2)	120.0140	0.000	1	120.0140	0.000	1	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(Br){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	122.2170	0.000	1	122.2170	0.000	1	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)2(Br)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)2(Br){1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.0820	0.297	2	119.5005	1.231	10	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)2(Br)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)2(Br){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.8551	0.923	8	119.5005	1.231	10	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)2(Br)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)2(Br){1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.2920	0.133	2	118.2920	0.018	2	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(Br){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.7910	0.000	1	118.7910	0.000	1	119.5440	0.946	301	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(Br){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	116.1700	0.000	1	116.2215	0.005	2	116.2215	0.005	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(Br){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(O){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	116.2730	0.000	1	116.2215	0.005	2	116.2215	0.005	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6,6a]C)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6,6a]C)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6a]C)(C[6a]C[6a]Br)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6,6a]C)(C[6a]C[6a]Br)(Br){1|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	120.5370	0.783	2	120.5370	0.614	2	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	121.6775	0.795	2	121.6775	0.633	2	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	119.6860	0.322	2	119.9968	0.334	28	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	120.4182	0.642	10	119.9968	0.334	28	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.7722	0.403	16	119.9968	0.334	28	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	121.1463	0.324	6	121.2331	0.425	20	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	122.0867	0.661	4	121.2331	0.425	20	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.6845	1.087	2	121.2331	0.425	20	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	121.0555	0.856	2	121.2331	0.425	20	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.9928	0.268	6	121.2331	0.425	20	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.8725	0.519	8	120.9581	0.239	16	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	121.0438	0.475	8	120.9581	0.239	16	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	120.0575	0.549	2	120.0575	0.302	2	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	121.6549	0.318	17	121.6549	0.101	17	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(Br){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	120.8350	0.000	1	119.8540	1.925	2	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(Br){1|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	118.8730	0.000	1	119.8540	1.925	2	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	121.7550	0.000	1	121.7765	0.001	2	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	121.7980	0.000	1	121.7765	0.001	2	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	120.7390	0.540	2	119.9787	0.886	4	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(Br){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2185	0.233	2	119.9787	0.886	4	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(Br){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(Br){3|C<3>}	Br(C[6a]C[6a]2)	119.8530	0.595	4	119.8530	0.354	4	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(Br){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	120.9620	0.585	4	120.8819	0.431	22	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(Br){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.8641	0.686	18	120.8819	0.431	22	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|Br<1>,1|C<2>,1|C<3>}	Br(C[6a]C[6a]2)	121.7370	0.000	1	121.1060	0.280	71	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	121.0970	0.527	70	121.1060	0.280	71	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	122.2220	0.000	1	122.2220	0.000	1	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	120.3310	0.000	1	120.3310	0.000	1	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.5170	0.683	16	120.3466	0.631	20	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	119.6650	0.941	4	120.3466	0.631	20	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(Br){1|C<3>,2|F<1>}	Br(C[6a]C[6a]2)	122.3878	0.561	11	122.3878	0.314	11	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.2840	0.000	1	120.2840	0.000	1	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	121.6661	1.088	58	121.8335	0.872	110	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	122.1362	0.629	5	121.8335	0.872	110	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	122.2190	0.000	1	121.8335	0.872	110	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	121.6530	0.000	1	121.8335	0.872	110	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	121.8587	0.491	3	121.8335	0.872	110	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	122.1543	0.780	24	121.8335	0.872	110	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.8982	0.820	6	121.8335	0.872	110	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	122.4410	0.084	4	121.8335	0.872	110	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.2560	0.068	4	121.8335	0.872	110	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	121.7602	0.423	4	121.8335	0.872	110	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.6160	0.000	1	121.0303	3.073	7	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(Br){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	122.0160	0.037	2	121.0303	3.073	7	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)2(Br){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.6410	2.289	4	121.0303	3.073	7	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(Br){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.6985	0.009	2	119.6985	0.000	2	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.9220	0.000	1	120.9220	0.000	1	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	121.0850	0.615	2	121.0850	0.378	2	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	121.9135	0.822	17	121.6209	1.194	37	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	121.3722	1.246	20	121.6209	1.194	37	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	119.6287	0.263	4	120.0146	0.604	20	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.1110	0.838	16	120.0146	0.604	20	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	120.7810	0.000	1	120.9359	1.775	7	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	120.4190	1.305	2	120.9359	1.775	7	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<3>}	Br(C[6a]C[6a]2)	121.2330	1.636	4	120.9359	1.775	7	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	120.6570	0.522	2	120.6570	0.272	2	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	119.8509	0.736	17	119.7178	0.507	37	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	119.6046	0.688	20	119.7178	0.507	37	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.0770	0.000	1	120.2679	0.585	95	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(Br){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	120.4002	0.651	4	120.2679	0.585	95	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	121.5100	0.000	1	120.2679	0.585	95	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	120.5706	0.629	17	120.2679	0.585	95	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)2(Br){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	120.4050	0.853	20	120.2679	0.585	95	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.3048	0.739	16	120.2679	0.585	95	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	120.0895	0.120	4	120.2679	0.585	95	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	120.0619	0.860	20	120.2679	0.585	95	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(Br){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	119.9988	0.317	12	120.2679	0.585	95	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	120.8440	0.000	1	120.8440	0.000	1	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(Br)	C[6a](C[6a]C[6a]Br)2(Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)2(Br){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	116.9720	0.000	1	116.9720	0.000	1	120.9151	1.188	548	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)2(C)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(C){1|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	119.1590	0.462	2	119.1590	0.214	2	119.1590	0.214	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Cl)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	Br(C[6a]C[6a]2)	120.2530	0.000	1	120.2530	0.000	1	121.2074	0.378	8	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.7660	0.000	1	121.4654	0.335	5	121.2074	0.378	8	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	122.3270	0.000	1	121.4654	0.335	5	121.2074	0.378	8	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.0780	0.171	3	121.4654	0.335	5	121.2074	0.378	8	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Cl)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.0395	0.083	2	121.0395	0.007	2	121.2074	0.378	8	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]F)(C[6a]C[6a]F)(Br)	C[6a](C[6a]C[5,6a]F)(C[6a]C[6a]Br)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]F)(C[6a]C[6a]F)(Br){1|C<3>,1|F<1>,1|S<2>}	C[6a](C[6a]C[5,6a]F)(C[6a]C[6a]Br)(F){1|C<3>,1|F<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.2745	0.473	2	120.2745	0.224	2	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(F){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.8715	0.464	8	119.8715	0.215	8	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(Br)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]Br)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(Br){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]Br)(F){1|F<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.5853	0.427	4	119.5853	0.183	4	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(F){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.1290	0.000	1	119.1290	0.000	1	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|Br<1>,1|C<3>,1|F<1>}	Br(C[6a]C[6a]2)	118.3220	0.791	12	118.3220	0.626	12	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>}	Br(C[6a]C[6a]2)	119.9120	0.141	2	119.9120	0.020	2	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.5970	0.000	1	120.2090	0.374	12	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.4510	0.000	1	120.2090	0.374	12	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.7360	0.000	1	120.2090	0.374	12	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.5035	0.145	2	120.2090	0.374	12	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.9550	0.000	1	120.2090	0.374	12	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.1790	0.000	1	120.2090	0.374	12	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.3140	0.000	1	120.2090	0.374	12	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.0755	0.077	2	120.2090	0.374	12	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5590	1.211	2	120.2090	0.374	12	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.3183	0.776	6	119.3183	0.602	6	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|P<3>}	Br(C[6a]C[6a]2)	116.5340	0.000	1	116.5340	0.000	1	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|Br<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	Br(C[6a]C[6a]2)	120.9399	0.690	10	121.0697	0.449	190	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>}	Br(C[6a]C[6a]2)	121.4410	0.351	2	121.0697	0.449	190	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|Br<1>,1|C<3>,1|F<1>}	Br(C[6a]C[6a]2)	121.1612	0.671	48	121.0697	0.449	190	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>}	Br(C[6a]C[6a]2)	120.8100	0.419	8	121.0697	0.449	190	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>}	Br(C[6a]C[6a]2)	121.1270	0.327	2	121.0697	0.449	190	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|N<2>}	Br(C[6a]C[6a]2)	121.0965	0.609	16	121.0697	0.449	190	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.8254	0.830	10	121.0697	0.449	190	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.0413	0.736	30	121.0697	0.449	190	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	Br(C[6a]C[6a]2)	120.9852	0.650	13	121.0697	0.449	190	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(F){1|F<1>,2|C<3>}	Br(C[6a]C[6a]2)	121.1108	0.681	51	121.0697	0.449	190	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(F){1|C<3>,2|F<1>}	Br(C[6a]C[6a]2)	121.8452	0.632	4	121.8452	0.399	4	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(F){1|C<2>,1|C<3>,1|F<1>}	Br(C[6a]C[6a]2)	121.3150	0.040	2	121.3150	0.002	2	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)2(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|Br<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Br)2(F){1|C<3>,2|F<1>}	Br(C[6a]C[6a]2)	120.7139	1.048	10	120.7736	0.508	22	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]Br)2(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(F){1|C<3>,2|F<1>}	Br(C[6a]C[6a]2)	120.8234	0.257	12	120.7736	0.508	22	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Br)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Br){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(F){1|C<3>,1|F<1>,1|N<2>,2|C<4>}	Br(C[6a]C[6a]2)	120.8685	0.781	4	120.8685	0.609	4	120.7607	0.967	270	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	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>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|B<4>,1|C<3>,1|F<1>}	Br(C[6a]C[6a]2)	115.5330	0.000	1	115.5330	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	116.6530	0.000	1	116.7485	0.018	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	116.8440	0.000	1	116.7485	0.018	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.3460	0.000	1	116.3460	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.4030	0.000	1	118.9956	0.422	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.1437	0.645	4	118.9956	0.422	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.3140	0.000	1	119.3140	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.7707	0.417	6	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.6310	0.259	3	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.1964	0.847	117	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.0024	0.602	16	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.6230	0.762	82	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.5825	0.095	2	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.9239	0.685	25	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.3313	0.627	6	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.3880	0.000	1	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.7545	0.045	2	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	117.5590	0.000	1	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|B<3>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.6700	0.481	2	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.4993	1.577	11	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.3380	0.320	4	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.0806	0.642	29	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.3740	0.387	4	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.5617	1.247	32	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|Si<4>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.5493	0.241	4	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2065	0.596	4	118.8984	0.788	351	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.9190	0.000	1	118.9190	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]S)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|S<4>}	C[6a](C[6a]C[5,6a]S)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.8610	0.141	2	118.8610	0.020	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	118.2780	0.222	2	118.2780	0.049	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	117.9240	0.000	1	117.9240	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	116.4460	0.000	1	116.7823	0.192	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	116.8943	0.461	3	116.7823	0.192	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.1075	0.477	15	118.1319	0.222	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.4980	0.000	1	118.1319	0.222	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.1030	0.000	1	118.3441	0.518	285	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.3450	0.000	1	118.3441	0.518	285	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.5570	0.810	31	118.3441	0.518	285	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.5050	0.000	1	118.3441	0.518	285	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.0727	1.652	8	118.3441	0.518	285	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2810	0.000	2	118.3441	0.518	285	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.3450	0.000	1	118.3441	0.518	285	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.3280	0.685	188	118.3441	0.518	285	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]2)	118.5560	0.000	1	118.3441	0.518	285	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.2140	0.546	47	118.3441	0.518	285	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|S<2>}	Br(C[6a]C[6a]2)	118.4805	0.156	2	118.3441	0.518	285	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.0625	0.377	2	118.3441	0.518	285	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	117.9725	0.228	2	117.9725	0.052	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.4090	0.000	1	117.4090	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	116.7855	0.607	2	116.7855	0.369	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.4820	0.000	1	117.8398	1.900	20	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.2710	0.000	1	117.8398	1.900	20	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	115.4340	0.000	1	117.8398	1.900	20	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.2375	0.572	2	117.8398	1.900	20	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.1210	0.000	1	117.8398	1.900	20	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	115.9035	0.438	2	117.8398	1.900	20	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.2560	1.317	2	117.8398	1.900	20	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.0473	0.289	3	117.8398	1.900	20	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.6700	0.000	1	117.8398	1.900	20	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.9900	0.000	1	117.8398	1.900	20	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.9786	1.005	5	117.8398	1.900	20	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.0800	0.000	1	117.0800	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.4400	0.000	1	116.4400	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	116.5980	0.000	1	116.5980	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.5080	0.097	4	119.3709	0.195	9	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.0867	0.513	4	119.3709	0.195	9	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.9590	0.000	1	119.3709	0.195	9	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.2450	0.000	1	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.5822	0.599	20	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.8295	0.387	2	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.5265	0.743	39	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]2)	118.5250	0.000	1	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.4052	0.596	89	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2761	0.769	22	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	120.3745	0.146	2	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	117.6560	0.000	1	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.0660	0.397	5	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.8075	0.170	2	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.0780	0.103	3	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.0570	0.000	1	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.8380	0.000	1	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.3900	0.000	1	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.0792	0.343	6	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.0150	0.116	2	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.7593	0.495	3	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.9420	0.000	1	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.2597	0.919	9	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.2860	0.000	1	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.3560	0.660	15	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.1923	0.493	23	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|S<4>}	Br(C[6a]C[6a]2)	117.1820	0.000	1	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.2230	1.453	4	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.9008	0.633	4	119.3529	0.497	259	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.4130	0.539	2	118.8440	0.359	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2750	0.209	2	118.8440	0.359	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	118.6580	0.000	1	118.6580	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.7170	0.000	1	120.5441	0.515	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	120.5153	0.782	6	120.5441	0.515	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|C<2>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.7610	0.000	1	119.6210	0.039	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.4810	0.000	1	119.6210	0.039	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.2530	0.000	1	120.2530	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(Br){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(H){3|C<3>}	Br(C[6a]C[6a]2)	116.1680	0.000	1	116.1680	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(Br){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(H){1|C<4>,4|C<3>}	Br(C[6a]C[6a]2)	115.3980	0.000	1	115.3980	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){3|C<3>}	Br(C[6a]C[6a]2)	116.7318	0.589	5	116.7318	0.347	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	117.9537	0.501	11	117.9862	0.241	12	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.3430	0.000	1	117.9862	0.241	12	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.8590	0.000	1	118.9970	0.038	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.1350	0.000	1	118.9970	0.038	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.3820	0.000	1	118.6246	0.775	211	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.3417	0.866	4	118.6246	0.775	211	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.6010	0.255	2	118.6246	0.775	211	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.1430	1.024	2	118.6246	0.775	211	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.9710	0.000	1	118.6246	0.775	211	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.9033	0.696	3	118.6246	0.775	211	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.8096	1.121	25	118.6246	0.775	211	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.1310	0.750	12	118.6246	0.775	211	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.0054	0.710	21	118.6246	0.775	211	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|S<2>}	Br(C[6a]C[6a]2)	119.4260	0.000	1	118.6246	0.775	211	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.4713	0.849	139	118.6246	0.775	211	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	117.6880	0.578	2	117.6880	0.335	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	116.7720	0.943	4	116.7720	0.890	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	116.4370	0.000	1	115.9935	0.393	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|N<4>,2|C<3>}	Br(C[6a]C[6a]2)	115.5500	0.000	1	115.9935	0.393	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.7473	0.717	6	117.7689	0.432	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.8980	0.000	1	117.7689	0.432	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]C[3x6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C[3x6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|C<4>}	Br(C[6a]C[6a]2)	117.6300	0.000	1	117.6300	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.6320	0.000	1	119.1770	0.414	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.7220	0.000	1	119.1770	0.414	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.2897	0.334	3	117.2897	0.112	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(H){1|S<2>,2|C<3>}	Br(C[6a]C[6a]2)	116.6150	0.000	1	116.6150	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){5|C<3>}	Br(C[6a]C[6a]2)	117.2020	0.000	1	117.2020	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.4060	0.000	1	116.4060	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.9947	0.311	4	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.6905	0.704	2	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	116.5180	0.000	1	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.2420	0.000	1	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	115.6510	0.000	1	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.2910	0.000	1	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.7103	0.801	3	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|S<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.0260	0.000	1	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.0360	0.000	1	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.6715	1.155	2	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.7660	1.949	2	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	115.7290	0.000	1	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.8689	0.869	16	117.6878	1.096	36	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|Br<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.6728	0.184	4	117.4920	0.104	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.1305	0.170	2	117.4920	0.104	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	115.2390	0.051	2	115.2390	0.003	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H){2|C<3>}	Br(C[6a]C[6a]2)	119.3190	0.000	1	119.3190	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|Br<1>,1|B<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.2590	0.324	2	116.3050	0.059	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|Br<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.3970	0.000	1	116.3050	0.059	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	115.6400	1.837	8	115.9182	3.024	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	116.5320	0.000	1	115.9182	3.024	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>}	Br(C[6a]C[6a]2)	117.5300	0.000	1	115.9182	3.024	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	115.1790	0.000	1	115.1790	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|Br<1>,4|C<3>}	Br(C[6a]C[6a]2)	118.5835	0.262	2	118.5835	0.069	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	118.4236	0.532	5	118.3433	0.211	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.1425	0.152	2	118.3433	0.211	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.1555	0.967	6	118.2701	0.543	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.4420	0.053	4	118.2701	0.543	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.2373	1.241	4	118.9536	0.981	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	Br(C[6a]C[6a]2)	118.4690	0.000	1	118.9536	0.981	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<2>}	Br(C[6a]C[6a]2)	118.1300	0.000	1	118.9536	0.981	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	Br(C[6a]C[6a]2)	119.1270	0.000	1	118.9536	0.981	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	117.5978	1.020	23	117.6383	1.035	24	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.5710	0.000	1	117.6383	1.035	24	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	118.3013	0.559	58	118.3013	0.313	58	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	118.4125	0.472	2	118.0370	0.120	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){2|Br<1>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	118.1460	0.000	1	118.0370	0.120	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|H<1>,2|N<3>}	Br(C[6a]C[6a]2)	117.8220	0.075	4	118.0370	0.120	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	117.8530	0.049	2	117.8530	0.002	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>}	Br(C[6a]C[6a]2)	117.3943	1.793	3	117.3943	3.214	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.9289	0.366	8	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.6140	0.540	4	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.1600	0.033	2	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Br<1>,1|C<2>,1|C<3>}	Br(C[6a]C[6a]2)	117.3910	1.515	2	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	117.2419	0.811	23	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.6390	0.000	1	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.4223	0.964	8	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	116.9460	0.427	2	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Pt<4>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	116.7475	0.462	2	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	116.5110	0.000	1	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.9989	1.073	27	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.7630	0.120	2	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	117.7340	0.000	1	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.8560	0.629	3	117.2473	1.082	86	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){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>}	Br(C[6a]C[6a]2)	119.3430	0.000	1	116.6536	2.971	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){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|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.1060	0.008	2	116.6536	2.971	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	115.8565	1.668	2	116.6536	2.971	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.5910	0.204	2	117.6328	1.620	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.9800	0.463	6	117.6328	1.620	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.3325	0.226	2	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	119.3170	0.260	2	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.6150	0.591	10	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	116.6817	0.369	6	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.0040	0.141	2	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>}	Br(C[6a]C[6a]2)	116.1640	0.000	1	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.0270	0.000	1	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.3670	0.000	1	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.0350	0.151	2	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.6093	0.376	10	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	119.1430	0.000	1	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.4070	0.874	4	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>}	Br(C[6a]C[6a]2)	117.8855	0.872	2	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.2237	0.987	143	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	Br(C[6a]C[6a]2)	117.4184	0.640	9	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>}	Br(C[6a]C[6a]2)	117.9150	0.331	3	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	116.9285	0.931	4	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	117.0290	0.211	3	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|F<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.1315	0.901	4	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.6253	1.095	118	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	118.1078	1.148	8	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.7819	1.143	18	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){3|C<3>}	Br(C[6a]C[6a]2)	117.2850	0.000	1	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.2550	0.332	2	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.4210	0.000	1	117.4765	1.121	358	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.9670	0.796	4	116.9670	0.634	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.3720	0.000	1	117.1861	0.408	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	116.9930	0.707	6	117.1861	0.408	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.2941	0.637	9	117.1861	0.408	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.8980	0.000	1	117.0880	1.982	34	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|C<4>,1|N<2>}	Br(C[6a]C[6a]2)	116.1830	0.000	1	117.0880	1.982	34	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	116.5700	0.000	1	117.0880	1.982	34	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	115.8067	0.386	4	117.0880	1.982	34	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.4650	0.000	1	117.0880	1.982	34	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){3|C<3>}	Br(C[6a]C[6a]2)	116.7145	0.791	2	117.0880	1.982	34	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)2(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.5290	0.000	1	117.0880	1.982	34	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.5828	0.310	6	117.0880	1.982	34	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.3645	0.216	2	117.0880	1.982	34	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.5261	0.947	14	117.0880	1.982	34	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.1000	0.000	1	117.0880	1.982	34	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,4|C<4>}	Br(C[6a]C[6a]2)	117.3780	0.000	1	118.5770	0.360	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	Br(C[6a]C[6a]2)	118.8168	0.137	5	118.5770	0.360	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.9590	0.000	1	117.6927	0.869	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.7357	0.470	4	117.6927	0.869	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.2540	0.000	1	117.6927	0.869	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.0080	0.000	1	117.7269	0.722	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	116.1500	0.000	1	117.7269	0.722	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	118.1860	0.261	5	117.7269	0.722	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.0126	0.618	7	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.2250	0.000	1	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.3220	0.000	1	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.0520	0.000	1	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	115.9920	0.000	1	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.3324	0.761	11	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.1665	0.677	2	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	114.2610	0.000	1	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.5580	0.000	1	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.4767	0.839	10	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.5690	0.000	1	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	115.5675	0.599	2	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.5850	0.178	3	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.9480	0.000	1	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.4810	0.000	1	116.8441	0.913	44	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	114.9330	0.000	1	115.7500	1.335	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	116.5670	0.000	1	115.7500	1.335	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	Br(C[6a]C[6a]2)	117.4390	0.000	1	117.4390	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	115.2930	0.000	1	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.7920	0.398	10	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.8624	0.681	5	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.1830	0.000	1	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.6390	0.004	2	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.2070	0.599	6	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.3358	0.593	6	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	116.0643	0.365	3	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.4840	0.000	1	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.1047	0.723	3	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	115.3993	2.906	3	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>}	Br(C[6a]C[6a]2)	117.9770	0.156	2	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	114.6595	0.013	2	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	115.8230	0.233	2	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	116.7100	0.727	4	116.7292	1.431	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){2|Br<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.4390	0.000	1	118.4390	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	Br(C[6a]C[6a]2)	119.5400	0.000	1	119.7533	0.027	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	119.8243	0.100	3	119.7533	0.027	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	117.9950	0.000	1	117.9950	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	120.0970	0.000	1	120.0970	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|F<1>,1|H<1>}	Br(C[6a]C[6a]2)	121.0220	0.000	1	121.9728	1.362	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|F<1>,1|N<3>}	Br(C[6a]C[6a]2)	121.3350	0.000	1	121.9728	1.362	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|F<1>,1|O<2>}	Br(C[6a]C[6a]2)	122.7670	1.230	2	121.9728	1.362	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|C<2>,1|C<3>,1|F<1>}	Br(C[6a]C[6a]2)	120.6960	0.000	1	120.6850	0.000	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|F<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.6740	0.000	1	120.6850	0.000	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|F<1>}	Br(C[6a]C[6a]2)	120.4975	0.049	2	120.7955	0.121	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.1380	0.000	1	120.7955	0.121	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|F<1>,2|C<3>}	Br(C[6a]C[6a]2)	121.0490	0.000	1	120.7955	0.121	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|F<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.1570	0.000	1	120.1570	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|I<1>}	Br(C[6a]C[6a]2)	117.7610	0.000	1	118.0050	0.119	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.2490	0.000	1	118.0050	0.119	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|I<1>}	Br(C[6a]C[6a]2)	117.7390	0.731	2	117.7390	0.535	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	119.0365	0.252	2	119.0365	0.064	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.1530	0.429	2	118.0802	1.168	33	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.7687	0.541	4	118.0802	1.168	33	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]2)	118.6385	0.674	2	118.0802	1.168	33	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.2137	0.742	3	118.0802	1.168	33	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.4232	0.432	6	118.0802	1.168	33	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	117.9700	0.000	1	118.0802	1.168	33	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.4855	0.856	2	118.0802	1.168	33	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.3550	1.018	4	118.0802	1.168	33	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	117.1607	1.519	9	118.0802	1.168	33	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){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|N<2>}	Br(C[6a]C[6a]2)	119.5460	0.000	1	118.7833	0.229	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){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|N<3>}	Br(C[6a]C[6a]2)	118.4055	0.100	2	118.7833	0.229	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	118.7810	0.365	3	118.7833	0.229	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.2870	0.315	2	118.8140	0.376	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.9897	0.599	6	118.8140	0.376	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.5510	0.756	4	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.3799	1.042	16	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	117.7840	0.578	2	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|I<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.0900	0.000	1	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>}	Br(C[6a]C[6a]2)	113.8300	1.417	2	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.3640	0.000	1	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	Br(C[6a]C[6a]2)	120.2570	0.000	1	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	Br(C[6a]C[6a]2)	119.2807	0.494	3	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>}	Br(C[6a]C[6a]2)	117.8880	0.273	2	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<4>}	Br(C[6a]C[6a]2)	121.2870	0.000	1	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	Br(C[6a]C[6a]2)	116.5790	0.000	1	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.5825	0.608	12	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.7605	0.608	34	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]2)	119.3330	0.000	1	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	118.4240	0.000	1	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	117.7890	0.000	1	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	118.1860	0.000	1	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>}	Br(C[6a]C[6a]2)	118.8210	0.000	1	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.6170	0.000	1	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.4515	0.467	2	118.5185	1.202	88	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(H){1|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	117.4050	0.000	1	117.4050	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	117.8660	0.363	2	118.8531	0.909	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.2260	0.000	1	118.8531	0.909	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<2>}	Br(C[6a]C[6a]2)	119.8710	0.000	1	118.8531	0.909	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.2430	0.000	1	118.8531	0.909	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.7750	0.000	1	118.8531	0.909	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.1250	0.000	1	118.8531	0.909	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|C<4>,1|N<2>}	Br(C[6a]C[6a]2)	117.2050	0.000	1	117.8778	1.152	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	117.6285	0.274	2	117.8778	1.152	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	117.8820	0.000	1	117.8778	1.152	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.3881	0.534	9	117.8778	1.152	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	117.5250	0.621	3	117.8778	1.152	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	116.1410	0.000	1	117.8778	1.152	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	117.3513	1.484	9	117.8778	1.152	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.2513	1.018	11	117.8778	1.152	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Br(C[6a]C[6a]2)	118.1340	0.416	2	118.1133	0.088	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Br(C[6a]C[6a]2)	118.0720	0.000	1	118.1133	0.088	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	Br(C[6a]C[6a]2)	119.4290	1.076	8	119.4290	1.158	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.0890	0.598	2	119.1377	0.186	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.2350	0.000	1	119.1377	0.186	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	120.1485	0.018	2	120.1392	0.519	9	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.3130	0.000	1	120.1392	0.519	9	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	120.1072	0.907	6	120.1392	0.519	9	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.6328	0.475	8	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.0558	0.745	52	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.3480	0.000	1	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.8799	0.418	8	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.7120	0.000	1	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.2818	0.499	10	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	119.0540	0.000	1	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.4107	0.444	7	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.7610	0.000	1	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.0060	0.000	1	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.4495	1.339	25	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.5096	0.252	11	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.6370	0.516	2	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.3367	0.758	4	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	117.9780	0.000	1	119.3009	0.712	133	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	118.4930	0.453	3	119.2106	0.557	53	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	120.6160	0.000	1	119.2106	0.557	53	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	119.2258	0.722	49	119.2106	0.557	53	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.7395	0.511	2	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.1699	0.777	10	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.9605	1.126	2	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.2048	0.590	6	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.2500	0.000	1	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	120.6430	0.000	1	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.5180	0.000	1	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	119.0390	0.000	1	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.6961	0.716	17	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.7360	0.000	1	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.2910	0.000	1	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.4327	0.243	3	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.5134	0.598	13	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.5902	0.794	5	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.8502	1.149	12	119.5232	0.705	76	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	117.9290	0.000	1	117.9290	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.6677	0.238	4	119.2539	0.462	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.0000	0.287	2	119.2539	0.462	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.6150	0.000	1	119.2539	0.462	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,1|S<2>}	Br(C[6a]C[6a]2)	119.5740	0.000	1	119.2539	0.462	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.3395	1.090	2	119.2539	0.462	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	118.8980	0.349	2	118.7118	0.142	17	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	118.8143	0.275	3	118.7118	0.142	17	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	119.0175	0.483	2	118.7118	0.142	17	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	118.2010	0.144	2	118.7118	0.142	17	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.2990	0.000	1	118.7118	0.142	17	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<4>}	Br(C[6a]C[6a]2)	118.9190	0.000	1	118.7118	0.142	17	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.7320	0.416	5	118.7118	0.142	17	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	118.5470	0.000	1	118.7118	0.142	17	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|S<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.9120	1.175	4	118.9120	1.380	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.5130	0.000	1	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	119.4570	0.000	1	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.5302	0.851	19	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	119.6850	0.318	5	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.1952	0.816	6	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.7599	0.351	14	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.3930	0.000	1	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)2(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.3540	0.000	1	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|Pt<4>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	118.1840	0.154	2	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|Pt<6>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	116.9445	0.293	2	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.9818	0.934	118	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	119.4560	0.000	1	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.2271	0.893	8	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	118.7440	1.015	2	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.3585	0.535	2	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.4320	0.974	2	118.9971	0.845	185	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.6800	0.171	2	119.0453	0.183	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	Br(C[6a]C[6a]2)	119.4770	0.000	1	119.0453	0.183	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.7220	0.000	1	119.0453	0.183	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.0960	0.000	1	119.0453	0.183	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	Br(C[6a]C[6a]2)	119.6170	0.000	1	119.0453	0.183	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.3830	0.154	2	119.6178	0.218	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.4080	0.000	1	119.6178	0.218	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4770	0.000	1	119.6178	0.218	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.4380	0.000	1	119.6178	0.218	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|P<4>}	Br(C[6a]C[6a]2)	116.5640	0.000	1	116.5640	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	Br(C[6a]C[6a]2)	116.8934	1.017	5	116.4092	0.917	9	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	Br(C[6a]C[6a]2)	115.8040	0.432	4	116.4092	0.917	9	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	Br(C[6a]C[6a]2)	118.5823	0.463	18	118.2113	0.567	27	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<3>}	Br(C[6a]C[6a]2)	118.2845	0.368	2	118.2113	0.567	27	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Br(C[6a]C[6a]2)	117.1183	0.498	6	118.2113	0.567	27	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|S<2>}	Br(C[6a]C[6a]2)	117.9450	0.000	1	118.2113	0.567	27	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.7050	0.000	1	119.4570	0.763	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>}	Br(C[6a]C[6a]2)	120.4310	0.000	1	119.4570	0.763	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.8935	0.390	2	119.4570	0.763	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	118.6080	0.000	1	119.4570	0.763	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>}	Br(C[6a]C[6a]2)	118.2110	0.000	1	119.4570	0.763	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<4>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	117.8210	0.000	1	117.8210	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	119.8160	0.000	1	119.8160	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.2515	0.701	2	120.5024	0.813	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|N<2>,2|H<1>}	Br(C[6a]C[6a]2)	120.8151	0.645	8	120.5024	0.813	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.9940	0.000	1	120.7441	0.456	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	120.6128	0.239	5	120.7441	0.456	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.9920	0.295	3	120.7441	0.456	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	120.3310	0.000	1	120.7441	0.456	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	120.8761	0.646	15	120.7441	0.456	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<6>}	Br(C[6a]C[6a]2)	119.9410	0.375	3	120.7441	0.456	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	121.3666	0.403	5	120.7441	0.456	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|N<2>,2|H<1>}	Br(C[6a]C[6a]2)	121.4170	0.650	3	120.7441	0.456	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>}	Br(C[6a]C[6a]2)	120.1190	0.000	1	120.7441	0.456	37	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,1|I<1>,1|N<2>}	Br(C[6a]C[6a]2)	121.0860	0.000	1	120.0317	0.834	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	119.6803	0.714	3	120.0317	0.834	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	118.9380	0.000	1	119.2473	0.072	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|N<2>,2|H<1>}	Br(C[6a]C[6a]2)	119.4020	0.000	2	119.2473	0.072	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	121.2830	0.000	1	121.2830	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<4>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	120.2840	0.423	4	120.3380	0.350	15	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	119.7812	0.332	4	120.3380	0.350	15	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|N<2>,2|H<1>}	Br(C[6a]C[6a]2)	120.6870	0.568	7	120.3380	0.350	15	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	119.3800	0.000	1	119.3800	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	119.8175	0.272	2	119.8175	0.074	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<4>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	120.2730	0.000	1	119.5470	0.446	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	119.1545	0.353	4	119.5470	0.446	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|N<2>,2|N<3>}	Br(C[6a]C[6a]2)	120.3910	0.000	1	119.5470	0.446	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>}	Br(C[6a]C[6a]2)	120.3150	0.000	1	120.3150	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]H)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.3440	0.000	1	119.3440	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pd)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]H)(Br){1|Pd<4>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pd)(H){1|H<1>,1|O<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.1530	0.000	1	119.1530	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]H)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|H<1>,1|O<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.0630	0.000	1	120.0630	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br){2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|O<1>,1|O<2>}	Br(C[6a]C[6a]2)	122.0170	0.000	1	122.0170	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.6360	0.000	1	121.6360	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pd)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br){1|Pd<4>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pd)(H){1|H<1>,1|O<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.3750	0.000	1	121.3750	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|H<1>,1|O<1>,1|O<2>}	Br(C[6a]C[6a]2)	122.0540	0.000	1	122.0540	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	Br(C[6a]C[6a]2)	119.0530	0.000	1	119.0530	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	Br(C[6a]C[6a]2)	118.2820	0.000	1	119.0496	0.764	26	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	119.3965	0.100	2	119.0496	0.764	26	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7242	0.756	4	119.0496	0.764	26	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.7270	0.000	1	119.0496	0.764	26	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.2280	0.489	6	119.0496	0.764	26	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6830	0.515	5	119.0496	0.764	26	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7300	2.314	2	119.0496	0.764	26	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.6005	0.811	2	119.0496	0.764	26	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	120.3820	0.692	3	119.0496	0.764	26	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	Br(C[6a]C[6a]2)	120.0735	0.723	2	119.8110	0.336	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.5485	0.459	2	119.8110	0.336	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.7520	0.000	1	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.3530	0.679	4	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.2965	0.572	6	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.7525	0.791	2	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.6760	0.000	1	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.3153	0.583	3	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.9390	0.562	11	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.6590	0.000	1	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0514	0.370	5	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.7210	0.000	1	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.6770	0.252	2	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	Br(C[6a]C[6a]2)	119.7205	0.204	2	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.0015	0.120	2	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.1660	0.393	2	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|I<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.4497	0.659	8	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.2590	0.621	2	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,1|P<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.1145	0.863	4	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.7185	0.478	4	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6360	0.144	2	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.6183	0.352	4	119.1994	0.340	67	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|B<3>,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>}	Br(C[6a]C[6a]2)	118.5075	0.016	2	119.4167	0.327	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.7220	0.000	1	119.4167	0.327	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.8850	0.000	1	119.4167	0.327	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|B<4>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.6780	0.126	4	119.4167	0.327	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	122.5150	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3800	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	120.0110	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.8030	0.958	5	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.0599	0.955	17	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2055	0.907	6	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.9230	0.806	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.0187	0.814	112	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5393	0.759	8	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.6945	0.187	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.8350	0.064	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.3665	0.198	4	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.5915	0.688	16	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.8510	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.2565	0.469	11	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|I<1>}	Br(C[6a]C[6a]2)	119.1710	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.1083	0.269	3	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.1309	0.559	12	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]2)	119.2720	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.1732	0.570	32	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<3>}	Br(C[6a]C[6a]2)	119.4930	0.254	3	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.9129	0.679	51	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.9370	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.3336	1.127	8	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.4230	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.3990	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7830	0.471	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.8515	0.166	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|P<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.2220	0.274	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.9048	1.321	4	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1210	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|S<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.5320	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1872	0.836	4	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|I<1>}	Br(C[6a]C[6a]2)	119.6718	1.211	6	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.1371	0.527	18	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.2115	0.658	26	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]2)	119.0900	0.216	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.2007	0.721	77	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<3>}	Br(C[6a]C[6a]2)	119.2210	0.074	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.0724	0.510	8	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.8365	0.910	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.3788	0.936	24	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<3>}	Br(C[6a]C[6a]2)	119.7591	1.102	28	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.9455	0.610	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.3653	0.456	6	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.3700	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.1231	1.098	12	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.7471	0.733	385	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<3>}	Br(C[6a]C[6a]2)	119.2650	0.624	4	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0056	0.676	97	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.3600	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.0700	0.000	1	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.2071	0.234	8	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.7001	0.614	15	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.6490	0.386	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.7585	0.431	4	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.3806	0.892	14	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<3>}	Br(C[6a]C[6a]2)	119.5065	0.202	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.6070	1.485	2	119.5014	0.680	1068	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	120.0110	0.000	1	118.9004	0.612	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	118.7957	0.286	3	118.9004	0.612	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	118.9450	0.000	1	118.9004	0.612	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	119.0865	0.627	2	118.9004	0.612	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	119.8700	0.000	1	118.9004	0.612	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	118.2230	0.895	2	118.9004	0.612	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){2|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>}	Br(C[6a]C[6a]2)	118.7815	0.991	2	118.9004	0.612	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){2|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>}	Br(C[6a]C[6a]2)	118.7530	1.085	4	118.9004	0.612	16	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|B<3>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	117.5120	0.000	1	118.7986	1.407	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.8610	1.467	6	118.7986	1.407	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.4130	0.000	1	118.7986	1.407	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.6142	1.434	4	118.7986	1.407	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>}	Br(C[6a]C[6a]2)	118.3630	0.000	1	118.7986	1.407	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.4855	1.654	2	118.7986	1.407	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.1480	1.656	2	118.7986	1.407	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.4275	0.459	2	118.7986	1.407	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.3690	1.124	2	118.7986	1.407	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.2535	0.798	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.2630	0.028	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.4970	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.7370	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.7483	0.512	9	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.0942	0.336	6	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.7348	0.880	10	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	120.1460	0.157	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.2802	0.558	4	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1511	0.773	16	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.5220	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.5018	0.559	12	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	Br(C[6a]C[6a]2)	118.6910	0.563	3	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	Br(C[6a]C[6a]2)	118.7890	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.2317	0.206	3	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.3251	0.725	13	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]2)	118.9400	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.5104	0.671	49	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<3>}	Br(C[6a]C[6a]2)	119.7036	0.942	7	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0961	0.747	104	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.5667	0.042	3	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2193	0.732	8	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.9280	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.1600	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.5880	1.152	6	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.7360	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.4137	1.258	4	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.4925	0.536	4	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.7575	0.971	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.6180	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3131	0.684	11	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.2810	1.544	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.8383	1.119	6	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	Br(C[6a]C[6a]2)	119.2963	1.369	3	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.0433	0.626	3	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.5755	1.182	15	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.9723	0.123	3	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Br(C[6a]C[6a]2)	119.2327	0.028	3	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2064	0.674	57	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.3192	0.550	6	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.5300	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.0770	0.321	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	120.0700	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.9300	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.3700	0.774	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Br(C[6a]C[6a]2)	119.1930	0.481	6	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5190	0.544	5	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.0509	1.053	11	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.4220	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.8850	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	Br(C[6a]C[6a]2)	119.5240	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.2060	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.4100	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|As<4>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.7655	0.590	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Au<4>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.7745	0.486	4	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.4100	0.694	25	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.3039	0.416	18	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.2345	0.395	4	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.3626	0.552	8	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.1467	0.569	35	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.3478	0.816	2474	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|H<1>}	Br(C[6a]C[6a]2)	119.5847	1.014	4	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>}	Br(C[6a]C[6a]2)	119.3635	0.520	4	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<1>}	Br(C[6a]C[6a]2)	120.2330	1.674	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.4468	0.672	146	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.3961	0.706	978	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]2)	119.2792	0.570	39	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.4526	1.027	175	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	Br(C[6a]C[6a]2)	119.2434	0.686	63	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<3>}	Br(C[6a]C[6a]2)	119.1154	0.771	35	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Br(C[6a]C[6a]2)	119.1102	0.794	302	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2463	1.940	38	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Ca<6>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.6175	0.346	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2593	0.738	3244	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.3825	0.193	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Sb<5>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.5280	0.867	6	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Sb<6>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.9882	0.765	30	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.2220	0.344	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.4852	0.509	8	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.1440	0.048	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.3990	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.4397	0.674	3	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.6240	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.4350	0.419	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.5430	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.3300	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.1437	0.521	7	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.7540	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.6188	0.781	15	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.4719	0.737	422	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<3>}	Br(C[6a]C[6a]2)	119.7440	0.880	4	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3543	0.768	123	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.6210	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.7090	0.099	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.2090	0.695	4	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.1704	0.756	7	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.7833	0.371	3	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.7100	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	117.7770	0.311	4	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.2700	0.000	1	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Ru<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.4440	1.198	2	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Sb<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.3877	1.138	3	119.3154	0.606	8682	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	117.8710	0.000	1	117.8710	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Ir)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|Ir<6>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Ir)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.9550	0.713	2	119.0460	2.356	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Ir)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Ir)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.5915	1.602	4	119.0460	2.356	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.7450	1.421	2	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1600	0.000	1	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.4680	0.392	2	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.4250	0.437	4	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.4515	0.776	2	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.5790	0.000	1	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.9045	0.434	11	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.0230	0.437	2	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.2185	1.249	6	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	Br(C[6a]C[6a]2)	119.0820	0.300	3	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.6040	1.273	2	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.5569	1.161	15	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	117.9880	0.000	1	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	Br(C[6a]C[6a]2)	118.0225	0.415	2	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.2612	0.724	40	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.9292	0.688	6	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	117.9360	0.000	1	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]2)	117.2915	0.158	2	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0755	1.042	2	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.4805	0.717	8	118.6766	0.845	113	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0048	0.086	4	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.6910	0.000	1	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.8545	1.507	2	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	Br(C[6a]C[6a]2)	119.3450	0.000	1	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.5780	0.279	2	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.8030	0.000	1	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.7930	0.000	1	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.5235	0.060	2	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|S<4>}	Br(C[6a]C[6a]2)	118.5142	0.758	6	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.3644	0.762	5	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.7810	1.146	11	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]2)	118.6270	0.062	2	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.2503	0.521	6	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.2270	0.027	2	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7763	0.764	3	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.2673	0.594	6	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.1324	0.805	20	118.5047	0.648	75	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|P<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.4925	0.660	2	119.4154	1.316	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.5070	1.543	4	119.4154	1.316	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.8950	0.000	1	119.4154	1.316	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pd)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pd)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.8710	0.706	7	118.8710	0.499	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.6260	0.292	3	118.6260	0.085	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Rh)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Rh)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.2000	0.000	1	118.2000	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Ru)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Ru)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.2372	0.261	4	119.0276	0.316	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Ru)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Ru)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.6450	0.000	1	119.0276	0.316	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Ru)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Ru<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Ru)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.2995	0.271	2	119.0276	0.316	7	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|S<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6500	0.000	1	119.2369	0.843	56	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|S<2>}	Br(C[6a]C[6a]2)	118.5520	0.000	1	119.2369	0.843	56	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.0820	0.000	1	119.2369	0.843	56	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.8440	0.000	1	119.2369	0.843	56	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,2|S<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.2719	0.926	52	119.2369	0.843	56	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Sb)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Sb<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Sb)(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.0733	0.381	3	119.0733	0.145	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.8978	0.565	8	119.8333	0.490	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.5755	1.416	2	119.8333	0.490	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.4570	0.000	1	119.5293	0.365	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.1893	0.324	4	119.5293	0.365	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.9620	0.000	1	119.5293	0.365	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.9370	0.000	1	120.9370	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.7313	0.578	3	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|B<4>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.2458	0.599	4	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.5460	0.000	1	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.3620	0.000	1	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.6500	0.000	1	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.1518	0.293	5	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.0116	0.705	19	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7392	0.675	30	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.9000	0.000	1	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.1038	0.498	9	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.3648	1.039	6	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.4568	0.515	10	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.8850	0.831	4	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.0330	0.441	4	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)2(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.3690	0.000	1	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|Ir<6>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7280	0.585	2	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.8337	0.624	3	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.0772	0.886	118	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7636	0.931	14	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.9445	0.176	6	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.3845	0.448	2	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	119.3241	0.474	8	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.0110	0.867	21	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.0207	0.822	8	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1072	0.798	4	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2584	0.541	14	118.9390	0.636	299	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	119.1308	0.372	8	118.8351	1.043	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Br(C[6a]C[6a]2)	116.9315	0.052	2	118.8351	1.043	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	119.3500	0.000	1	118.8351	1.043	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	118.5895	0.366	2	118.8351	1.043	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|C<3>,2|H<1>,3|C<4>}	Br(C[6a]C[6a]2)	120.4220	0.000	1	118.8351	1.043	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	120.2640	0.897	2	118.8351	1.043	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	117.9197	0.355	3	118.8351	1.043	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	118.6950	1.102	2	118.8351	1.043	21	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	118.7800	0.062	2	118.6384	0.069	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	118.7300	0.000	1	118.6384	0.069	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.4510	0.390	2	118.6384	0.069	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|N<4>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	120.4910	0.000	1	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	119.3455	0.431	4	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Br(C[6a]C[6a]2)	120.9830	0.000	1	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.1800	0.000	1	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	Br(C[6a]C[6a]2)	118.1620	0.000	1	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	119.5236	0.821	7	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	Br(C[6a]C[6a]2)	118.8067	0.308	4	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	Br(C[6a]C[6a]2)	120.6450	0.000	1	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	Br(C[6a]C[6a]2)	118.5140	0.529	4	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	119.0752	0.302	4	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|H<1>,3|C<4>}	Br(C[6a]C[6a]2)	119.9890	0.000	1	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.0973	0.164	4	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.6320	0.000	1	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,4|C<3>}	Br(C[6a]C[6a]2)	119.3250	0.000	1	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.6150	0.000	1	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	119.3780	0.000	1	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	Br(C[6a]C[6a]2)	120.1107	0.428	3	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Br(C[6a]C[6a]2)	119.9780	0.849	8	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.4940	0.208	2	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.5510	0.000	1	119.3748	0.649	51	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	118.6686	0.554	5	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2280	0.000	1	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.1685	0.288	2	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.3280	0.769	4	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.0935	0.719	2	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	119.0720	0.000	1	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	Br(C[6a]C[6a]2)	118.0900	0.000	1	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.2145	0.255	2	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Br(C[6a]C[6a]2)	118.8520	0.544	3	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	Br(C[6a]C[6a]2)	119.0775	0.510	2	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	119.3263	0.615	9	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|H<1>,3|N<3>}	Br(C[6a]C[6a]2)	117.9450	0.000	1	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|O<2>,3|H<1>}	Br(C[6a]C[6a]2)	118.5900	0.000	1	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|S<2>,3|H<1>}	Br(C[6a]C[6a]2)	118.5690	0.000	1	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6995	0.831	2	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	118.6345	0.432	2	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.0600	0.802	4	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	118.8725	0.243	2	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.2300	0.000	1	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	118.8515	0.098	2	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.4988	0.184	5	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2940	0.000	1	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.2720	0.498	2	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	117.6283	0.961	4	118.9863	0.510	60	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.5290	0.000	1	118.5290	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.4610	0.610	4	118.4610	0.372	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.9555	0.207	2	118.7006	0.186	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	Br(C[6a]C[6a]2)	118.6050	0.181	2	118.7006	0.186	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|N<2>}	Br(C[6a]C[6a]2)	119.3650	0.000	1	118.7006	0.186	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.5115	0.443	2	118.7006	0.186	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.0960	0.000	1	118.7006	0.186	8	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(H){1|B<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.1950	0.000	1	118.5825	0.417	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	Br(C[6a]C[6a]2)	118.1320	0.000	1	118.5825	0.417	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.8123	0.415	8	118.5825	0.417	10	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.2880	0.000	1	118.2880	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	Br(C[6a]C[6a]2)	118.8190	0.000	1	118.7560	0.008	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]Br)(H){1|O<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.6930	0.000	1	118.7560	0.008	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.6105	0.494	2	120.1245	0.401	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Br)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Br){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.6385	0.124	2	120.1245	0.401	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.6480	0.000	1	118.6480	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	117.6460	0.000	1	117.6460	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.1120	0.000	1	119.4130	0.181	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.7140	0.000	1	119.4130	0.181	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){2|Br<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.2950	0.702	6	118.2950	0.493	6	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.5855	0.532	4	118.8442	0.547	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.8790	0.000	1	118.8442	0.547	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.3120	0.000	1	118.6598	0.222	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br){2|Br<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.7757	0.503	3	118.6598	0.222	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.8590	0.000	1	118.8590	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|B<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.5295	0.812	2	118.9503	0.861	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.7920	0.000	1	118.9503	0.861	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.1680	0.000	1	119.1680	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.6150	0.000	1	119.6150	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	117.1605	1.285	2	118.4035	2.946	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<3>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	119.6465	1.003	2	118.4035	2.946	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.5555	0.934	2	118.5555	0.873	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	117.0450	0.380	9	117.0450	0.144	9	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	116.0530	0.000	1	116.0530	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,2|N<3>}	Br(C[6a]C[6a]2)	119.7770	0.976	2	119.7770	0.952	2	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.0720	0.000	1	119.0842	0.493	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	119.0872	0.811	4	119.0842	0.493	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	118.4438	0.653	5	118.4438	0.427	5	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|O<1>}	Br(C[6a]C[6a]2)	121.0110	0.000	1	121.0110	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	117.4637	1.495	3	117.4637	2.236	3	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<4>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	117.7003	0.398	3	117.9005	0.266	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(H){1|C<4>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.5010	0.000	1	117.9005	0.266	4	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Br){2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(H){2|Cl<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.0990	0.000	1	119.0990	0.000	1	119.1230	0.959	13612	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	122.0720	1.561	2	122.1325	0.888	4	121.4062	1.430	10	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	121.8670	0.000	1	122.1325	0.888	4	121.4062	1.430	10	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	122.5190	0.000	1	122.1325	0.888	4	121.4062	1.430	10	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I){1|Cl<1>,1|C<3>,1|I<1>}	Br(C[6a]C[6a]2)	120.6500	1.033	4	120.6500	1.067	4	121.4062	1.430	10	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)2(Br){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(I){1|C<3>,1|I<1>}	Br(C[6a]C[6a]2)	121.4660	1.612	2	121.4660	2.599	2	121.4062	1.430	10	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(O){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	117.7010	0.000	1	117.7010	0.000	1	118.4232	1.819	22	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(O){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	115.4870	0.000	1	115.4870	0.000	1	118.4232	1.819	22	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|O<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(O){1|Br<1>,1|C<3>,1|O<1>}	Br(C[6a]C[6a]2)	118.6061	1.223	20	118.6061	1.495	20	118.4232	1.819	22	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6a]C[6a]2)	119.7690	0.000	1	119.7690	0.000	1	120.6110	1.418	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)2(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>}	Br(C[6a]C[6a]2)	121.4530	0.000	1	121.4530	0.000	1	120.6110	1.418	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	116.5200	0.000	1	116.5200	0.000	1	116.5358	0.455	5	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	115.4770	0.000	1	115.4770	0.000	1	116.5358	0.455	5	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	116.7900	0.498	2	116.7900	0.248	2	116.5358	0.455	5	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	Br(C[6a]C[6a]2)	117.1020	0.000	1	117.1020	0.000	1	116.5358	0.455	5	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(Br)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	118.7020	0.000	1	118.4000	0.182	2	118.4000	0.182	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(Br)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.0980	0.000	1	118.4000	0.182	2	118.4000	0.182	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.7010	0.727	2	118.2944	0.651	10	118.2944	0.651	10	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.8130	1.017	3	118.2944	0.651	10	118.2944	0.651	10	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.8206	0.501	5	118.2944	0.651	10	118.2944	0.651	10	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6,6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(Br)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6,6a]O)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(O){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	115.9490	0.000	1	115.9490	0.000	1	115.9490	0.000	1	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	117.0393	0.533	4	117.0393	0.284	4	118.0922	5.756	5	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Br)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	Br(C[6a]C[6a]2)	122.3040	0.000	1	122.3040	0.000	1	118.0922	5.756	5	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(Br)	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]Br)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(Br){2|C<4>,3|C<3>}	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]Br)(O){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	115.1070	0.000	1	115.1070	0.000	1	116.2865	2.782	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(Br)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(O){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	117.4660	0.000	1	117.4660	0.000	1	116.2865	2.782	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Br)	C[6a](C[6a]N[6a]Br)(C[6a]O[6a]O)(H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Br){1|O<2>,2|O<1>}	C[6a](C[6a]N[6a]Br)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	122.2125	0.631	2	122.2125	0.399	2	122.2125	0.399	2	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:1:	3:	N[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]N[5a,6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Br(C[6a]N[5a,6a]C[6a])	118.6390	0.000	1	118.6390	0.000	1	118.6390	0.000	1	119.1747	1.339	16469	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	114.4900	0.202	3	114.4900	0.041	3	116.2046	3.458	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){2|C<3>,4|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	117.4645	0.179	2	117.4645	0.032	2	116.2046	3.458	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OCo)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OCo){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[5,6a]C[6a])	116.7150	0.000	1	116.7150	0.000	1	116.2046	3.458	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[5,6a]C[6a])	114.8333	2.434	3	114.8333	5.926	3	116.2046	3.458	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OC)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(Br){2|C<3>,4|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[5,6a]C[6a])	117.7260	0.000	1	117.7260	0.000	1	116.2046	3.458	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[5,6a]C[6a])	117.8580	0.000	1	117.8580	0.000	1	116.2046	3.458	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[5,6a]C[6a])	119.6200	0.000	1	119.6200	0.000	1	116.2046	3.458	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OCo)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,1|O<2>,4|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OCo){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[5,6a]C[6a])	114.9940	0.000	1	114.9940	0.000	1	116.2046	3.458	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,1|O<2>,4|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[5,6a]C[6a])	116.7050	0.000	1	116.7050	0.000	1	116.2046	3.458	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[5,6a]C[6a])	116.5520	0.000	1	116.5520	0.000	1	116.2046	3.458	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O[6a])(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]2)(O[6a]C[6a])	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O[6a])(Br){2|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]2)(O[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[5,6a]C[6a])	123.8307	1.162	6	123.8307	1.350	6	123.8307	1.350	6	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)(OC)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(Br){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)(OC){1|H<1>,1|S<2>,3|C<3>}	Br(C[6a]C[5a,6a]C[6a])	121.1760	0.000	1	121.1760	0.000	1	121.1760	0.000	1	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(OH)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(Br){1|Br<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	Br(C[6a]C[5a,6a]C[6a])	117.7190	0.052	2	117.7190	0.003	2	117.7190	0.003	2	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6,6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]C)(OC)	Br(C[6a]C[6,6,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(Br){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6,6a]C[6a])	119.0645	0.697	6	119.0645	0.486	6	119.0645	0.486	6	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OC)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OC){1|H<1>,4|C<3>}	Br(C[6a]C[6,6a]C[6a])	118.9530	0.000	1	118.9530	0.000	1	117.9410	2.048	2	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OH)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OH){1|C<4>,1|O<2>,3|C<3>}	Br(C[6a]C[6,6a]C[6a])	116.9290	0.000	1	116.9290	0.000	1	117.9410	2.048	2	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	116.4832	0.403	4	116.4832	0.162	4	117.3069	1.315	10	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	Br(C[6a]C[6,6a]C[6a])	117.7600	0.000	1	117.7600	0.000	1	117.3069	1.315	10	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6a]C[6a])	116.8370	0.000	1	117.8323	2.975	3	117.3069	1.315	10	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6,6a]C[6a])	116.8360	0.000	1	117.8323	2.975	3	117.3069	1.315	10	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.8240	0.000	1	117.8323	2.975	3	117.3069	1.315	10	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6a]C[6a])	117.2870	0.000	1	117.2870	0.000	1	117.3069	1.315	10	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Br){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6,6a]C[6a])	118.5920	0.000	1	118.5920	0.000	1	117.3069	1.315	10	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CC)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	115.0290	0.701	2	115.0290	0.492	2	115.0290	0.492	2	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OC)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.9970	0.000	1	118.9970	0.000	1	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OH){3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.1440	0.754	2	117.1440	0.568	2	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	113.8295	1.645	2	116.5988	3.335	10	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	116.0870	0.134	3	116.5988	3.335	10	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.0136	0.533	5	116.5988	3.335	10	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OFe)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OFe){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	116.8320	0.000	1	116.8320	0.000	1	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OH)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.6070	0.000	1	117.6070	0.000	1	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.8500	0.000	1	118.8500	0.000	1	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH){1|Br<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	117.0410	0.984	2	117.0410	0.969	2	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(Br){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|N<2>}	Br(C[6a]C[6a,6a]C[6a])	119.3580	0.000	1	119.3580	0.000	1	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OC){1|C<3>,2|O<2>}	Br(C[6a]C[6a,6a]C[6a])	121.2670	0.000	1	121.2670	0.000	1	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,2|O<2>}	Br(C[6a]C[6a,6a]C[6a])	119.9350	0.000	1	119.9350	0.000	1	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(Br){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	Br(C[6a]C[6a,6a]C[6a])	120.7172	0.151	5	120.7172	0.023	5	118.1073	4.428	26	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(OC){1|C<4>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	116.3660	0.000	1	116.3660	0.000	1	118.0380	2.107	3	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(OC){1|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	118.8740	0.144	2	118.8740	0.021	2	118.0380	2.107	3	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.7360	0.025	2	119.7360	0.001	2	119.7360	0.001	2	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(Br)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]Br)(OH){1|C<4>,1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.0495	0.817	2	119.0495	0.667	2	119.1791	1.228	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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]C)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	Br(C[6a]C[6a]2)	118.8420	0.000	1	117.9610	1.552	2	119.1791	1.228	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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]C)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|O<1>,3|C<4>}	Br(C[6a]C[6a]2)	117.0800	0.000	1	117.9610	1.552	2	119.1791	1.228	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OC){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	120.7160	0.000	1	120.7160	0.000	1	119.1791	1.228	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.4045	0.756	6	119.0694	1.051	8	119.1791	1.228	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|C<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|H<1>,1|O<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.0120	0.000	1	119.0694	1.051	8	119.1791	1.228	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|H<1>,1|O<1>,3|C<3>}	Br(C[6a]C[6a]2)	117.1160	0.000	1	119.0694	1.051	8	119.1791	1.228	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(ORu)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(ORu){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.9980	0.000	1	119.9980	0.000	1	119.1791	1.228	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	120.3970	0.000	1	120.3970	0.000	1	119.1791	1.228	15	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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]2)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(Br){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.5190	0.000	1	118.5190	0.000	1	119.7901	0.840	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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]C)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|C<4>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	118.8130	0.000	1	118.8130	0.000	1	119.7901	0.840	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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]C)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(Br){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.5225	0.054	2	118.5225	0.003	2	119.7901	0.840	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	121.6980	0.000	1	120.3380	0.591	5	119.7901	0.840	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.0580	0.000	1	120.3380	0.591	5	119.7901	0.840	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.9780	0.152	3	120.3380	0.591	5	119.7901	0.840	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.3650	0.000	1	120.3650	0.000	1	119.7901	0.840	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.4858	0.481	5	120.4858	0.232	5	119.7901	0.840	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.4010	0.000	1	119.0390	0.262	2	119.7901	0.840	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.6770	0.000	1	119.0390	0.262	2	119.7901	0.840	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|O<1>,2|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.5365	0.525	2	119.5365	0.276	2	119.7901	0.840	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(SC[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(SC[6a]){1|H<1>,1|S<2>,3|C<3>}	Br(C[6a]C[6a]2)	121.6290	0.000	1	121.6290	0.000	1	121.6290	0.000	1	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(CC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(CC){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.9325	0.063	2	119.9325	0.004	2	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)2(CN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CN){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	119.1030	0.000	1	119.1030	0.000	1	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(CC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(CC){1|C<3>,2|F<1>}	Br(C[6a]C[6a]2)	120.4510	0.095	2	120.4510	0.009	2	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.6560	1.481	2	120.4413	2.014	6	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.7460	0.000	1	120.4413	2.014	6	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.5300	1.907	3	120.4413	2.014	6	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.6160	0.000	1	119.9044	0.046	5	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.0400	0.253	2	119.9044	0.046	5	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9130	0.000	2	119.9044	0.046	5	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.7670	0.000	1	119.7670	0.000	1	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CW)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CW){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.0690	0.000	1	120.0690	0.000	1	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Br)2(CN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7955	0.620	2	119.2587	0.195	15	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(CN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7060	0.081	2	119.2587	0.195	15	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5670	0.000	1	119.2587	0.195	15	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(CN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2940	0.409	4	119.2587	0.195	15	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5223	0.234	6	119.2587	0.195	15	119.7199	0.661	33	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.7875	0.271	2	117.7875	0.073	2	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN){1|C<3>,1|F<1>,1|H<1>}	Br(C[6a]C[6a]2)	120.5553	0.600	6	120.5553	0.359	6	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	121.1190	0.000	1	121.1190	0.000	1	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.5480	0.000	1	118.5480	0.000	1	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN){1|C<3>,1|F<1>,1|H<1>}	Br(C[6a]C[6a]2)	119.2793	0.386	6	119.2793	0.149	6	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2790	0.476	3	119.4280	0.170	10	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.9730	0.000	1	119.4280	0.170	10	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5783	0.366	6	119.4280	0.170	10	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.0210	0.000	1	120.4990	0.457	2	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.9770	0.000	1	120.4990	0.457	2	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.6800	0.000	1	119.6800	0.000	1	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7360	0.000	1	120.2873	0.198	9	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.0178	0.292	4	120.2873	0.198	9	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.4447	0.496	4	120.2873	0.198	9	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.0530	0.000	1	121.0530	0.000	1	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2880	0.037	2	119.2119	0.577	8	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2710	1.140	2	119.2119	0.577	8	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.4645	0.855	2	119.2119	0.577	8	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.0690	0.000	1	119.2119	0.577	8	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5790	0.000	1	119.2119	0.577	8	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NC[5])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(NC[5]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.5325	0.192	2	118.5325	0.037	2	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(NH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.2235	0.120	2	118.2235	0.014	2	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(NN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.1850	1.791	6	121.1850	3.207	6	119.7748	1.273	57	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	Br(C[6a]C[6a]2)	124.8565	1.525	2	124.8565	2.326	2	124.0063	3.332	3	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br){1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	Br(C[6a]C[6a]2)	122.3060	0.000	1	122.3060	0.000	1	124.0063	3.332	3	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	117.1470	0.000	1	117.1470	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.9230	0.000	1	119.9230	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.9907	0.096	3	117.9907	0.009	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.5530	0.150	2	118.8318	0.117	5	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.3570	0.000	1	118.8318	0.117	5	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.7610	0.000	1	118.8318	0.117	5	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.9350	0.000	1	118.8318	0.117	5	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.1370	0.000	1	119.1370	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.4885	0.555	2	117.4885	0.308	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2313	0.557	3	119.2313	0.310	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.8700	0.000	1	119.8700	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	116.8370	0.000	1	116.8370	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.2550	0.000	1	119.2550	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(OC){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.3770	0.698	4	119.3770	0.487	4	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.6615	0.418	2	119.6615	0.175	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	118.6120	0.000	1	118.6120	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.2987	0.124	3	118.2987	0.015	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OB[6])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OB[6]){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.2980	1.356	2	119.2980	1.839	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	118.1230	0.598	3	118.1230	0.357	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.3935	0.516	6	118.3935	0.266	6	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OFe)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OFe){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.6200	0.998	2	119.6200	0.997	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OS){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.0625	0.400	2	120.0625	0.160	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(Br){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.4850	0.000	1	117.4850	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OC){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	120.3930	0.000	1	120.3930	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	118.7490	0.000	1	118.7490	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(Br){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(OC){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	119.0545	1.590	2	119.0545	2.529	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.2750	0.000	1	118.2750	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OCo)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OCo){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	116.9024	0.670	15	116.9024	0.448	15	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	116.7775	0.192	2	116.7775	0.037	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OB[3x6])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OB[3x6]){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	118.3075	0.302	4	118.3075	0.091	4	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OC){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	118.2665	0.370	2	118.2665	0.137	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OC[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OC[6a]){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	119.2853	1.126	12	119.2853	1.268	12	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)2(OH){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	118.1925	0.029	2	117.8245	0.188	4	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OH){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	117.4565	0.151	2	117.8245	0.188	4	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	117.6120	0.000	1	118.0180	2.940	8	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.0760	1.843	7	118.0180	2.940	8	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	117.2205	0.294	4	117.1994	0.072	7	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	116.8650	0.000	1	117.1994	0.072	7	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	117.3245	0.169	2	117.1994	0.072	7	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	117.9993	0.973	3	117.9993	0.947	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	117.7185	0.177	2	117.7185	0.032	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)2(OC){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.1330	0.000	1	117.1227	0.781	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OC){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	117.1175	1.249	2	117.1227	0.781	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OH){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.8110	0.000	1	117.8110	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	117.6483	0.312	3	117.6483	0.098	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(Br){2|Br<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(OH){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.9600	0.000	1	117.9600	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	117.6555	0.183	2	117.6555	0.034	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(OH){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6610	0.000	1	118.6610	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.7760	0.343	4	119.6370	0.146	8	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.7280	0.218	2	119.6370	0.146	8	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.2680	0.506	2	119.6370	0.146	8	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.9010	0.000	1	119.4242	0.219	5	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.5550	0.422	4	119.4242	0.219	5	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|B<3>,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>}	Br(C[6a]C[6a]2)	120.6185	0.576	2	120.6185	0.332	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.3830	0.000	1	119.7603	0.381	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.4490	0.424	2	119.7603	0.381	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC[6a]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7850	0.000	1	118.7850	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCd)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCd){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.5740	0.532	3	117.5740	0.283	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCo)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCo){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2845	2.473	2	118.0581	1.002	19	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCo)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCo){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.9585	0.769	15	118.0581	1.002	19	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCo)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCo){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.5785	0.185	2	118.0581	1.002	19	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCu)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCu){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.0170	0.000	1	117.9481	0.719	30	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCu)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCu){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6910	0.808	7	117.9481	0.719	30	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCu)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCu){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.8477	0.884	13	117.9481	0.719	30	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCu)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCu){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.5078	0.476	9	117.9481	0.719	30	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OFe)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OFe){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6880	0.180	3	117.5556	1.344	7	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OFe)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OFe){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	116.7062	0.649	4	117.5556	1.344	7	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.9260	0.000	1	118.7307	0.377	113	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7130	0.174	2	118.7307	0.377	113	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.0930	0.000	1	118.7307	0.377	113	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.8184	0.563	54	118.7307	0.377	113	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7390	0.000	1	118.7307	0.377	113	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.1760	0.628	16	118.7307	0.377	113	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3010	0.000	1	118.7307	0.377	113	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7790	0.592	30	118.7307	0.377	113	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6788	0.535	5	118.7307	0.377	113	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1555	0.704	2	118.7307	0.377	113	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OMn)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OMn){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.8572	0.967	5	118.9559	4.117	7	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OMn)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OMn){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	116.7025	2.596	2	118.9559	4.117	7	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OMo)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OMo){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.1397	1.078	4	118.1397	1.162	4	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(ONi)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(ONi){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	122.1000	0.000	1	117.9515	2.027	14	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(ONi)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(ONi){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.4707	0.722	4	117.9515	2.027	14	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(ONi)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(ONi){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.0963	0.411	6	117.9515	2.027	14	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(ONi)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(ONi){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.5867	0.658	3	117.9515	2.027	14	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(ORu)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(ORu){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.6593	2.042	4	117.6593	4.168	4	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OS){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7982	0.248	4	120.7982	0.061	4	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OSn)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OSn){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.9200	0.000	1	117.9200	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OZn)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OZn){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.7445	0.486	11	117.7965	0.210	14	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OZn)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OZn){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.1810	0.037	2	117.7965	0.210	14	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OZn)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OZn){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.6000	0.000	1	117.7965	0.210	14	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OZr)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OZr){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.5450	0.027	2	117.5450	0.001	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	119.3370	0.000	1	118.8116	0.646	5	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	118.5467	1.006	3	118.8116	0.646	5	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<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>}	Br(C[6a]C[6a]2)	119.0810	0.000	1	118.8116	0.646	5	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(OC){1|C<3>,1|F<1>,1|H<1>}	Br(C[6a]C[6a]2)	118.6300	0.000	1	118.6300	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.7758	0.273	5	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.8445	0.202	2	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.1590	0.000	1	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.3376	0.486	8	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.9777	0.502	10	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	Br(C[6a]C[6a]2)	119.5330	0.000	1	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.1107	0.205	3	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.5150	0.089	2	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	120.0185	0.424	2	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	Br(C[6a]C[6a]2)	120.1330	0.000	1	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9200	0.000	1	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.0204	0.419	5	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4085	0.656	11	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.7355	0.500	2	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1237	0.426	15	119.4509	0.391	69	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4925	0.648	2	119.7363	0.389	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.2240	0.000	1	119.7363	0.389	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7372	0.875	6	120.1727	0.827	15	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.8320	0.757	2	120.1727	0.827	15	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4250	0.000	1	120.1727	0.827	15	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.8465	0.876	6	120.1727	0.827	15	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.4971	0.491	12	119.2992	0.358	25	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.9340	0.000	1	119.2992	0.358	25	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0011	0.680	10	119.2992	0.358	25	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.3580	0.000	1	119.2992	0.358	25	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.2110	0.000	1	119.2992	0.358	25	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OP)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.6840	0.143	2	120.6840	0.020	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7010	0.000	1	120.7010	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OSi)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OSi){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3670	0.000	1	119.3670	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OSn)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OSn){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.9250	0.000	1	117.9250	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.7550	0.000	1	118.7550	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6600	0.000	1	118.6600	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.0550	0.000	1	118.7496	0.240	8	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6190	0.642	2	118.7496	0.240	8	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.8400	0.000	1	118.7496	0.240	8	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.4470	0.000	1	118.7496	0.240	8	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	118.5480	0.000	1	118.7496	0.240	8	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.9345	0.388	2	118.7496	0.240	8	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OS){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.0720	0.000	1	120.0720	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|Pt<4>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(OC){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.3915	0.910	2	120.7835	0.489	4	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|Pt<6>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(OC){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.1755	0.153	2	120.7835	0.489	4	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4680	0.000	1	119.4680	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Si)(OAl)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Si)(OAl){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.6377	1.579	9	119.6377	2.493	9	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Si)(OB)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Si)(OB){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5997	0.765	3	119.5997	0.585	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.8545	0.414	2	119.1322	0.229	11	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.6415	0.194	2	119.1322	0.229	11	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6050	0.283	2	119.1322	0.229	11	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)2(OC){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.9480	0.000	1	119.1322	0.229	11	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3260	0.442	4	119.1322	0.229	11	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OC[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(OC[6a]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0400	1.083	8	119.3255	0.803	15	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OC[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OC[6a]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.6519	0.522	7	119.3255	0.803	15	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OFe)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(OFe){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.3890	0.000	1	117.3890	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6636	0.298	8	118.5928	0.624	81	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.9510	0.000	1	118.5928	0.624	81	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.6905	0.721	48	118.5928	0.624	81	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.0367	0.573	4	118.5928	0.624	81	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|S<4>}	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.1753	0.959	4	118.5928	0.624	81	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.3742	0.650	10	118.5928	0.624	81	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.0475	0.156	2	118.5928	0.624	81	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.5730	0.730	2	118.5928	0.624	81	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OH){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.3895	0.340	2	118.5928	0.624	81	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(ONi)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(ONi){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	115.8100	0.000	1	115.8100	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OAl)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OAl){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	Br(C[6a]C[6a]2)	119.1060	0.000	1	119.1060	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OH){1|S<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2220	0.000	1	119.2220	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(ONi)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(ONi){1|C<3>,2|H<1>,2|N<3>}	Br(C[6a]C[6a]2)	116.9680	0.000	1	116.9680	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	118.7450	0.000	1	118.9938	0.333	4	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,2|S<2>,3|H<1>}	Br(C[6a]C[6a]2)	118.8560	0.000	1	118.9938	0.333	4	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.1870	0.918	2	118.9938	0.333	4	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(Br){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.7705	0.087	2	119.7705	0.008	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	Br(C[6a]C[6a]2)	116.9840	0.000	1	116.9840	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OC){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	121.5150	0.000	1	121.5150	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.4457	0.405	22	119.4457	0.164	22	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OGe[4])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OGe[4]){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	117.7745	0.484	2	117.7745	0.235	2	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.9070	0.000	1	119.1312	0.322	49	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.1358	0.572	48	119.1312	0.322	49	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	119.6420	0.000	1	119.3664	0.341	9	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.2090	0.764	2	119.3664	0.341	9	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.3730	0.635	6	119.3664	0.341	9	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.5757	0.652	4	119.4930	0.441	6	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.3275	0.920	2	119.4930	0.441	6	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.4160	0.000	1	119.0873	0.082	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)2(OH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.9230	0.037	2	119.0873	0.082	3	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.5570	0.000	1	119.5570	0.000	1	118.7959	1.117	724	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9760	0.000	1	119.9760	0.000	1	119.9464	0.245	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[5])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[5]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9510	0.000	1	119.9510	0.000	1	119.9464	0.245	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[5a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[5a]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.5060	0.000	1	120.5060	0.000	1	119.9464	0.245	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[6])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[6]){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.1350	0.000	1	120.0617	0.864	3	119.9464	0.245	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[6])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[6]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5250	0.017	2	120.0617	0.864	3	119.9464	0.245	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[6a]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5385	0.357	2	119.5385	0.128	2	119.9464	0.245	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SPt)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SPt){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5510	0.000	1	119.5510	0.000	1	119.9464	0.245	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SS){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9735	0.435	10	119.9735	0.189	10	119.9464	0.245	19	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SeC[5a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SeC[5a]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.8300	0.000	1	119.8300	0.000	1	119.9510	0.029	2	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SeC[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.0720	0.000	1	120.0720	0.000	1	119.9510	0.029	2	118.9059	1.762	948	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CNO)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CNO){1|C<4>,2|C<3>}	Br(C[6a]C[5,6a]C[6a])	120.1360	0.000	1	120.1360	0.000	1	125.1302	12.234	4	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(Br){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|O<2>}	Br(C[6a]C[5,6a]C[6a])	126.7950	1.312	3	126.7950	1.722	3	125.1302	12.234	4	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Cl)(NOO)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,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>}	Br(C[6a]C[5,6a]C[6a])	119.9750	0.453	2	119.9750	0.205	2	119.9758	0.258	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(NHH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.3690	0.000	1	119.9763	0.414	3	119.9758	0.258	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(NHH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.2800	0.523	2	119.9763	0.414	3	119.9758	0.258	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]N)(NOO)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(Br){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|N<2>}	Br(C[6a]C[5a,6a]C[6a])	124.0152	0.936	6	124.0152	0.876	6	124.0152	0.876	6	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B[5])(Br)	C[6a](C[6a]C[6a,6a]Br)2(B[5]O[5]2)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B[5])(Br){1|Br<1>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)2(B[5]O[5]2){2|C<4>,3|C<3>}	Br(C[6a]C[6a,6a]C[6a])	116.9390	0.126	2	116.9390	0.016	2	116.9390	0.016	2	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	120.6430	0.000	1	120.6430	0.000	1	120.6430	0.000	1	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(NCH)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(NCH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a,6a]C[6a])	119.2110	0.000	1	119.2110	0.000	1	119.2110	0.000	1	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(Br)	C[6a](C[6a]C[6a,6a]Br)(N[6]C[6,6]C[6])(C[6a]C[6a]H)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(Br){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Br)(N[6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.3490	0.000	1	119.3490	0.000	1	119.3490	0.000	1	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:B[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(Br)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]B[6a]Br)(C[6a]C[6a]2)	Br(C[6a]B[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(Br){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]B[6a]Br)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	Br(C[6a]B[6a]C[6a])	119.3610	0.000	1	119.3610	0.000	1	119.3610	0.000	1	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.9990	0.000	1	119.9990	0.000	1	120.8730	1.528	2	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	121.7470	0.000	1	121.7470	0.000	1	120.8730	1.528	2	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.4017	0.287	3	119.3025	0.094	4	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.0050	0.000	1	119.3025	0.094	4	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.7675	0.303	2	120.8075	1.021	6	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.6050	0.000	1	120.8075	1.021	6	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.5820	0.000	1	120.8075	1.021	6	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	120.1400	0.000	1	120.8075	1.021	6	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	119.9830	0.000	1	120.8075	1.021	6	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.4160	0.000	1	120.8375	0.355	2	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.2590	0.000	1	120.8375	0.355	2	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.5120	0.000	1	120.5120	0.000	1	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.9940	0.000	1	119.9940	0.000	1	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	122.2560	0.072	2	122.8933	1.221	3	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	124.1680	0.000	1	122.8933	1.221	3	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.2410	0.000	1	121.2410	0.000	1	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	122.1500	0.000	1	122.1500	0.000	1	120.8583	1.833	19	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(Br){2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	121.3010	0.000	1	121.3010	0.000	1	121.3010	0.000	1	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(NHH){1|H<1>,1|O<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.6990	0.000	1	118.6990	0.000	1	118.6990	0.000	1	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Br)2	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){2|Br<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Br)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	Br(C[6a]C[6a]2)	119.4230	0.000	1	119.4230	0.000	1	119.1664	0.081	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1760	0.000	1	119.2150	0.044	3	119.1664	0.081	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0280	0.000	1	119.2150	0.044	3	119.1664	0.081	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.4410	0.000	1	119.2150	0.044	3	119.1664	0.081	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Br)2	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(Br){2|Br<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Br)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	Br(C[6a]C[6a]2)	118.7640	0.000	1	118.7640	0.000	1	119.1664	0.081	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(Br){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(COO){1|Br<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.3245	0.495	4	119.3245	0.245	4	119.8284	1.453	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(Br){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(COO){1|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	121.8440	0.000	1	121.8440	0.000	1	119.8284	1.453	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){1|Br<1>,2|H<1>,6|C<3>}	Br(C[6a]C[6a]2)	120.2218	0.734	4	120.2676	0.415	5	121.0683	1.660	8	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){3|H<1>,6|C<3>}	Br(C[6a]C[6a]2)	120.4510	0.000	1	120.2676	0.415	5	121.0683	1.660	8	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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]N[6a]S)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S)(Br){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,1|S<2>,3|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	121.4530	0.000	1	121.4530	0.000	1	121.0683	1.660	8	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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]O[6a]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(Br){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	122.8775	0.241	2	122.8775	0.058	2	121.0683	1.660	8	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(Br)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]Br)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(Br){3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]Br)(NHH){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.3850	0.000	1	119.3850	0.000	1	121.0187	1.247	6	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCC){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.9380	0.000	1	119.9380	0.000	1	121.0187	1.247	6	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NCH){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	121.6850	0.000	1	121.6850	0.000	1	121.0187	1.247	6	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NHS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NHS){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	121.5940	0.697	2	121.5940	0.486	2	121.0187	1.247	6	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NSS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NSS){1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	121.9160	0.000	1	121.9160	0.000	1	121.0187	1.247	6	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:B[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(B[5a]N[5a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]Br)(B[5a]N[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.8240	0.000	1	120.8240	0.000	1	120.7010	0.030	2	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:B[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(B[5a]O[5a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Br)(B[5a]O[5a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.5780	0.000	1	120.5780	0.000	1	120.7010	0.030	2	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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]C)(Br)	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(Br){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){2|C<4>,4|C<3>}	Br(C[6a]C[6a]2)	119.0070	0.000	1	119.0070	0.000	1	121.0986	3.597	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[5a]C[5a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	Br(C[6a]C[6a]2)	120.0160	0.000	1	119.9195	0.019	2	121.0986	3.597	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[5a]C[5a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.8230	0.000	1	119.9195	0.019	2	121.0986	3.597	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	120.0790	0.000	1	122.2110	3.153	4	121.0986	3.597	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.5690	0.000	1	122.2110	3.153	4	121.0986	3.597	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	123.5980	0.809	2	122.2110	3.153	4	121.0986	3.597	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br)	C[6a](C[6a]C[5,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]Br){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(BOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(BOO){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.1840	0.000	1	119.7550	0.652	2	120.2876	2.158	10	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(BOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.3260	0.000	1	119.7550	0.652	2	120.2876	2.158	10	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(BC[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(BC[6a]2){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.8705	0.303	4	121.8705	0.092	4	120.2876	2.158	10	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(BOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(BOO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.9710	0.569	4	118.9710	0.323	4	120.2876	2.158	10	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(B[5]O[5]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	Br(C[6a]C[6a]2)	120.7860	0.000	1	120.7860	0.000	1	120.7860	0.000	1	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CNO){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	117.4580	0.000	1	117.4580	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(CCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(CCH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.7876	1.055	10	119.7876	1.112	10	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(COO){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	121.4910	0.000	1	121.4910	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(CCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(CCH){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.9570	0.000	1	119.9570	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(Br){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	119.7850	0.000	1	119.7850	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)2(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(Br){1|Br<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)2(CNO){3|C<3>}	Br(C[6a]C[6a]2)	117.1910	0.000	1	117.1910	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(COO){1|Br<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.5320	0.000	1	119.5320	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(COO){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	118.3191	0.584	16	118.3191	0.341	16	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)2(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(COO){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	118.4536	0.503	74	118.4536	0.253	74	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(COO){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	119.9700	0.362	2	119.9700	0.131	2	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(CHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(CHO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.5510	0.000	1	121.5510	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CC[6]O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CC[6]O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.1600	0.000	1	120.1600	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(COO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.8560	0.000	1	119.8560	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4545	0.523	2	120.5929	1.584	8	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.1810	1.205	2	120.5929	1.584	8	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.5990	0.000	1	120.5929	1.584	8	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	121.2910	1.407	3	120.5929	1.584	8	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.1030	0.000	1	120.2486	0.679	49	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.9560	0.000	1	120.2486	0.679	49	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.1465	0.310	2	120.2486	0.679	49	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.1953	0.830	24	120.2486	0.679	49	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.8720	0.000	1	120.2486	0.679	49	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.2310	0.891	17	120.2486	0.679	49	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.1143	0.782	3	120.2486	0.679	49	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCI)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCI){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.2290	1.441	2	120.2290	2.077	2	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.1130	0.212	2	120.1130	0.045	2	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.4279	1.539	13	121.4279	2.369	13	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.2163	0.607	3	120.7753	0.509	7	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.4445	0.658	4	120.7753	0.509	7	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]I){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.9040	0.000	1	118.9040	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.2510	2.056	4	121.2510	4.228	4	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]2){1|C<3>,1|F<1>,1|H<1>}	Br(C[6a]C[6a]2)	121.4360	0.000	1	121.4360	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]C[5])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]C[5]){1|C<3>,1|F<1>,1|H<1>}	Br(C[6a]C[6a]2)	120.9430	0.000	1	120.9430	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.5250	0.000	1	120.5250	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.1950	0.000	1	120.1950	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.0030	0.000	1	120.0030	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.8890	0.775	2	120.8890	0.601	2	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]C)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.7100	0.000	1	119.7100	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]N)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5000	0.000	1	119.5000	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7670	1.652	5	120.7670	2.730	5	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.3760	0.324	4	120.7486	0.475	25	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	121.2160	0.000	1	120.7486	0.475	25	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.1620	0.000	1	120.7486	0.475	25	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.5702	0.687	19	120.7486	0.475	25	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.7550	0.000	1	121.1994	0.199	5	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,1|F<1>,1|H<1>}	Br(C[6a]C[6a]2)	121.1455	0.112	2	121.1994	0.199	5	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.9755	0.606	2	121.1994	0.199	5	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.9950	0.000	1	120.9259	1.318	34	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.8890	1.624	6	120.9259	1.318	34	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.1832	0.911	12	120.9259	1.318	34	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7303	1.189	15	120.9259	1.318	34	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.4180	0.000	1	121.4180	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.3400	0.000	1	120.3400	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.2830	0.000	1	120.2830	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	122.4295	1.470	2	121.7726	2.407	30	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	121.3080	0.000	1	121.7726	2.407	30	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.3978	1.457	18	121.7726	2.407	30	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.7640	0.000	1	121.7726	2.407	30	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	124.6710	0.000	1	121.7726	2.407	30	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	122.3450	1.645	7	121.7726	2.407	30	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CPtC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CPtC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1820	1.522	2	119.1820	2.316	2	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.4440	0.000	1	121.4440	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(CHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.9881	0.336	10	119.9881	0.113	10	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(CHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(CHN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.8950	0.000	1	119.8950	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CCC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9492	0.951	6	119.9492	0.905	6	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(CCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4225	0.734	6	119.4225	0.539	6	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CC[5a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(CC[5a]2){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.6015	0.425	4	119.6015	0.181	4	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CC[6a]N)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(CC[6a]N){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.0752	0.300	8	120.5084	0.432	16	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CC[6a]N)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CC[6a]N){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.9415	0.637	8	120.5084	0.432	16	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(CNO){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	120.6935	2.584	2	120.8170	3.386	3	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CNO){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.0640	0.000	1	120.8170	3.386	3	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.4160	0.000	1	120.4160	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	119.8570	0.000	1	119.8570	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(COO){1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	118.6550	0.537	10	118.6550	0.289	10	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	121.6905	0.375	2	121.6905	0.141	2	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CHO){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.1110	0.000	1	120.1110	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(CHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(CHO){1|C<3>,1|N<3>,1|O<2>}	Br(C[6a]C[6a]2)	122.3010	0.000	1	122.3010	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	120.6769	1.864	7	120.6769	3.473	7	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CNO){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.3110	0.000	1	119.3110	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(CNO){5|C<3>}	Br(C[6a]C[6a]2)	118.2410	0.000	1	118.2410	0.000	1	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.2388	0.343	8	118.2388	0.118	8	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|Br<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.9010	1.054	2	120.1126	1.159	5	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	120.2780	0.000	1	120.1126	1.159	5	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	120.2415	1.838	2	120.1126	1.159	5	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)2(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(CNO){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.2945	1.214	2	118.5900	0.999	3	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)2(CNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(CNO){3|C<3>}	Br(C[6a]C[6a]2)	119.1810	0.000	1	118.5900	0.999	3	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)2(COO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(COO){1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	119.5618	0.660	10	119.5618	0.435	10	119.9899	2.069	408	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2){1|C<3>,2|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	121.3750	0.000	1	121.3750	0.000	1	121.3750	0.000	1	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	121.5670	0.000	1	121.5670	0.000	1	121.5670	0.000	1	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.8490	0.000	1	119.8490	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(Br){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.7470	0.000	1	119.7470	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)2	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(Br){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)2{1|C<2>,1|C<4>,1|O<2>,4|C<3>}	Br(C[6a]C[6a]2)	116.5890	0.400	2	116.5890	0.160	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)2	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(Br){1|Br<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)2{2|H<1>,7|C<3>}	Br(C[6a]C[6a]2)	119.2640	0.000	1	119.2640	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){3|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.3940	0.000	1	120.3940	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.2610	0.000	1	121.2610	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	120.3465	2.149	2	120.3465	4.618	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]N)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	Br(C[6a]C[6a]2)	119.4700	0.000	1	119.4700	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|Br<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.4550	0.000	1	119.4550	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|Br<1>,1|B<3>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Br)(C[6a]C[6a]2){2|O<2>,3|C<3>,4|H<1>}	Br(C[6a]C[6a]2)	121.1720	0.297	2	121.1720	0.088	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	120.2215	0.194	2	120.5531	0.921	17	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	122.3240	0.064	2	120.5531	0.921	17	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	120.8310	0.000	1	120.5531	0.921	17	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.3050	0.000	1	120.5531	0.921	17	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.2480	0.000	1	120.5531	0.921	17	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	120.4750	0.539	2	120.5531	0.921	17	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.9110	0.000	1	120.5531	0.921	17	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|F<1>,1|S<3>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.9680	0.334	2	120.5531	0.921	17	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	120.8868	0.984	4	120.5531	0.921	17	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	Br(C[6a]C[6a]2)	120.5840	0.000	1	120.5531	0.921	17	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]N)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<2>,1|P<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.6960	0.000	1	118.9120	2.499	3	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]N)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<2>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	118.0200	0.474	2	118.9120	2.499	3	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]S)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,1|S<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]S){1|I<1>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	120.6380	0.000	1	120.6380	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)2	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)2{1|Br<1>,2|H<1>,6|C<3>}	Br(C[6a]C[6a]2)	120.5320	0.000	1	120.7377	0.204	3	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)2	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)2{1|O<2>,2|H<1>,6|C<3>}	Br(C[6a]C[6a]2)	120.8405	0.586	2	120.7377	0.204	3	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6a]N[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6a]N[6a]2){3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.7190	0.000	1	122.0160	0.176	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6a]N[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<3>,2|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	122.3130	0.000	1	122.0160	0.176	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]Br)(C[6a]C[6a]2){1|Br<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.0830	0.000	1	120.0830	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2){2|Br<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.7030	0.578	2	118.8260	0.670	6	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|Br<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2){2|Br<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.3875	0.485	4	118.8260	0.670	6	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(C[6a]N[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Br)2(C[6a]N[6a]2){1|C<3>,2|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	119.1905	0.415	4	119.1905	0.173	4	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	120.1570	0.000	1	120.1570	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	119.0720	0.000	1	120.1170	2.184	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.1620	0.000	1	120.1170	2.184	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.8140	0.000	1	121.8140	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	122.1660	0.000	1	122.1660	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)2	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(Br){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)2{1|C<2>,1|C<4>,1|O<2>,4|C<3>}	Br(C[6a]C[6a]2)	119.4755	0.523	2	119.4755	0.273	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.6925	0.139	2	120.8498	0.891	4	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C){1|Br<1>,1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.0070	1.598	2	120.8498	0.891	4	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|C<2>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	121.7270	0.215	2	121.1030	0.475	13	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.9560	0.047	2	121.1030	0.475	13	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	121.0250	0.266	2	121.1030	0.475	13	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.0050	0.000	1	121.1030	0.475	13	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|Si<4>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.8505	1.292	2	121.1030	0.475	13	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|Sn<4>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.6250	1.015	2	121.1030	0.475	13	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	120.7190	0.000	1	121.1030	0.475	13	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	122.2480	0.000	1	121.1030	0.475	13	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(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>}	Br(C[6a]C[6a]2)	120.8475	0.262	2	121.0994	0.048	10	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Br<1>,1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.2130	0.098	2	121.0994	0.048	10	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Br<1>,1|H<1>,1|N<2>,2|C<3>,2|I<1>}	Br(C[6a]C[6a]2)	120.9785	0.267	2	121.0994	0.048	10	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Cl<1>,1|I<1>,1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.2895	0.090	2	121.0994	0.048	10	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){2|Br<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	121.1685	0.084	2	121.0994	0.048	10	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)2	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)2{1|Br<1>,1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	121.1705	0.351	2	120.9957	0.070	11	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)2	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)2{1|Br<1>,1|N<2>,2|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	120.9569	0.252	9	120.9957	0.070	11	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Si)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Si<4>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Si)(C[6a]C[6a]2){1|Br<1>,1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.6235	0.231	2	121.6235	0.053	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Sn)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Sn<4>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Sn)(C[6a]C[6a]2){1|Br<1>,1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.0945	0.544	2	121.0945	0.296	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2){1|Cl<1>,2|Br<1>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.6550	0.291	2	120.4553	0.201	8	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.2820	0.126	2	120.4553	0.201	8	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2){2|Br<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.6075	0.080	2	120.4553	0.201	8	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2){3|Br<1>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.2765	1.023	2	120.4553	0.201	8	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	123.4890	0.000	1	123.4890	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Br<1>,1|H<1>,1|N<2>,2|C<3>,2|I<1>}	Br(C[6a]C[6a]2)	119.2400	0.468	2	119.2400	0.219	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2){2|Br<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.6505	0.231	2	118.6505	0.053	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(Br){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Br(C[6a]C[6a]2)	118.2400	0.000	1	118.3827	1.197	3	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(Br){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	Br(C[6a]C[6a]2)	117.3670	0.000	1	118.3827	1.197	3	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(Br){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.5410	0.000	1	118.3827	1.197	3	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)2	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(Br){7|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)2{1|Br<1>,2|H<1>,6|C<3>}	Br(C[6a]C[6a]2)	118.0475	0.108	2	118.0475	0.012	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){3|Br<1>,1|C<3>,1|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	119.6450	0.000	1	119.6450	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){2|Br<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.9670	0.824	2	119.9670	0.680	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2){3|Br<1>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.7385	0.210	2	119.7385	0.044	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.6100	0.000	1	119.6100	0.000	1	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(C[6a]C[6a]2){1|Cl<1>,2|Br<1>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.0450	0.024	2	120.0450	0.001	2	120.3187	1.492	125	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NCH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.7830	0.000	1	119.7830	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.5295	1.079	4	118.3770	0.657	8	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.2245	0.553	4	118.3770	0.657	8	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Br)(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Br)(NOO){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	122.0630	0.000	1	122.0630	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(NCH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	122.7300	0.000	1	122.7300	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(NCH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	118.4470	0.000	1	118.4470	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(NCH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]2)	117.8125	1.508	2	117.8125	2.275	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.3360	0.000	1	119.3360	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	121.1370	0.000	1	121.1370	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(NHH){3|C<3>}	Br(C[6a]C[6a]2)	118.1329	0.707	10	118.1329	0.499	10	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NCH){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.8870	0.000	1	118.8870	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH){1|Br<1>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.2150	0.000	1	119.3940	0.064	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.5730	0.000	1	119.3940	0.064	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.5770	0.000	1	119.6414	1.620	7	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.2470	0.000	1	119.6414	1.620	7	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3800	0.000	1	119.6414	1.620	7	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0715	1.189	4	119.6414	1.620	7	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9030	0.660	2	119.9030	0.436	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.4280	0.000	1	121.4280	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.3890	0.000	1	118.4186	0.056	5	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.4170	0.000	1	118.4186	0.056	5	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.1170	0.000	1	118.4186	0.056	5	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.7800	0.000	1	118.4186	0.056	5	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.3900	0.000	1	118.4186	0.056	5	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO){1|C<3>,1|F<1>,1|H<1>}	Br(C[6a]C[6a]2)	121.3830	0.000	1	121.3830	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.0200	0.000	1	121.3599	0.455	7	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.4165	0.721	6	121.3599	0.455	7	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9734	0.417	5	119.9534	0.372	37	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.0575	0.422	2	119.9534	0.372	37	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.5720	0.000	1	119.9534	0.372	37	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.0007	0.531	24	119.9534	0.372	37	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.3340	0.000	1	119.9534	0.372	37	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3153	1.404	3	119.9534	0.372	37	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4240	0.000	1	119.9534	0.372	37	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5,5]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5,5]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.8980	0.000	1	118.8980	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.5130	0.000	1	119.1267	0.283	3	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4335	0.036	2	119.1267	0.283	3	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1330	0.000	1	119.1330	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.2781	0.347	7	120.2781	0.120	7	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.7420	0.000	1	119.7420	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2440	0.000	1	119.5222	0.891	5	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.1760	0.000	1	119.5222	0.891	5	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0637	0.246	3	119.5222	0.891	5	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4970	0.000	1	119.3584	0.269	5	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3237	0.592	4	119.3584	0.269	5	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	121.0610	0.000	1	121.0610	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	124.7200	0.000	1	124.1667	0.932	3	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	124.7280	0.000	1	124.1667	0.932	3	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	123.0520	0.000	1	124.1667	0.932	3	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|I<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.6700	0.000	1	119.6700	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.0590	0.000	1	117.9245	0.036	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.7900	0.000	1	117.9245	0.036	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NNiC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NNiC){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	125.5970	0.198	2	125.5970	0.039	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	121.2040	0.000	1	121.2040	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9994	0.678	10	120.1317	0.576	12	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7930	1.073	2	120.1317	0.576	12	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NC[6]O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(NC[6]O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.1150	1.498	2	121.1150	2.243	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NC[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(NC[6a]2){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3380	0.112	2	119.3380	0.012	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.2722	0.333	4	118.2514	0.228	10	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.4740	0.426	2	118.2514	0.228	10	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(NHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.1192	0.676	4	118.2514	0.228	10	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NNiC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(NNiC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.2210	0.549	2	120.2210	0.301	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NNiN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(NNiN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.7555	0.080	2	119.7555	0.006	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(NOO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	122.1590	0.000	1	122.1590	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NPdN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(NPdN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.2160	0.054	2	119.2160	0.003	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NZnC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(NZnC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.1055	1.523	4	120.1055	2.319	4	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	Br(C[6a]C[6a]2)	119.2863	0.476	3	119.2863	0.227	3	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO){1|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	121.7205	0.887	2	121.7205	0.788	2	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	124.6320	0.000	1	121.9551	1.305	42	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	121.8974	1.061	39	121.9551	1.305	42	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	Br(C[6a]C[6a]2)	121.7430	1.836	2	121.9551	1.305	42	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(Br)	C[6a](C[6a]C[6a]Br)2(NOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(NOO){1|C<3>,2|N<3>}	Br(C[6a]C[6a]2)	118.6430	0.000	1	118.6430	0.000	1	120.2229	2.749	207	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[3]C[3,6]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[3]C[3,6]2){1|C<3>,2|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	119.3310	0.000	1	119.3310	0.000	1	119.3310	0.000	1	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[5]C[5]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	Br(C[6a]C[6a]2)	120.8010	0.000	1	120.9330	0.035	2	120.1086	0.469	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[5]C[5]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	Br(C[6a]C[6a]2)	121.0650	0.000	1	120.9330	0.035	2	120.1086	0.469	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(N[5]C[5]N[5])	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){2|Br<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(N[5]C[5]N[5]){1|N<3>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.7788	0.468	5	119.7788	0.219	5	120.1086	0.469	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6]C[6]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	Br(C[6a]C[6a]2)	120.7610	0.000	1	120.3600	0.322	2	120.3600	0.322	2	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6]C[6]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(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>}	Br(C[6a]C[6a]2)	119.9590	0.000	1	120.3600	0.322	2	120.3600	0.322	2	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(N[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(N[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	Br(C[6a]C[6a]2)	120.9910	1.557	2	120.9910	2.424	2	119.8420	1.967	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.2040	0.000	1	120.2040	0.000	1	119.8420	1.967	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)2(N[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	120.1785	0.672	2	120.1785	0.452	2	119.8420	1.967	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[6a]C[6a]Br)2(N[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(Br){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.1755	0.612	2	118.1755	0.374	2	119.8420	1.967	7	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(PC[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(PC[6a]2){1|C<3>,2|F<1>}	Br(C[6a]C[6a]2)	121.5510	0.000	1	121.5510	0.000	1	120.7237	0.449	6	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PCC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.3760	0.000	1	121.3760	0.000	1	120.7237	0.449	6	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.3538	0.443	4	120.3538	0.197	4	120.7237	0.449	6	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SAlC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SAlC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.3810	0.000	1	120.3810	0.000	1	120.8550	0.449	2	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[5a]O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[5a]O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.3290	0.000	1	121.3290	0.000	1	120.8550	0.449	2	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){1|Se<2>,2|C<3>,2|H<1>}	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.0340	0.000	1	120.0340	0.000	1	120.0340	0.000	1	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br){1|B<4>,2|C<3>,2|H<1>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	121.0468	0.467	4	121.0468	0.218	4	120.4920	0.684	10	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]C)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]C){1|O<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.5670	0.000	1	121.5670	0.000	1	120.4920	0.684	10	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.3490	0.000	1	120.3490	0.000	1	120.4920	0.684	10	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)2	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br){2|Br<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)2{1|N<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.7043	0.452	4	119.7043	0.204	4	120.4920	0.684	10	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Br)2	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|B<4>,1|H<1>,2|C<3>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Br)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.7640	0.116	2	119.7640	0.013	2	119.7640	0.013	2	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(Br)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(Br){5|C<3>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	119.2025	0.052	2	119.2025	0.003	2	120.0642	0.693	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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,6a]O)(Br)	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(Br){1|C<4>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	120.2100	0.000	1	120.2100	0.000	1	120.0642	0.693	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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,6a]O)(Br)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(Br){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(C[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.9470	0.000	1	120.9470	0.000	1	120.0642	0.693	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7590	0.000	1	120.7590	0.000	1	120.0642	0.693	5	120.1981	2.330	874	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(Br)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]Br)(CCCH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]Br)(CCCH){1|C<4>,1|O<2>,2|C<3>}	Br(C[6a]C[5,6a]C[6a])	120.1935	0.442	4	120.1935	0.195	4	120.1935	0.195	4	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CHHO)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Br){1|Br<1>,4|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CHHO){1|H<1>,2|C<3>}	Br(C[6a]C[5,6a]C[6a])	117.1480	0.471	2	117.1480	0.222	2	117.1480	0.222	2	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	Br(C[6a]C[5a,6a]C[6a])	119.3380	0.000	1	119.3380	0.000	1	120.8975	4.864	2	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>}	Br(C[6a]C[5a,6a]C[6a])	122.4570	0.000	1	122.4570	0.000	1	120.8975	4.864	2	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(CCHH)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(Br){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(CCHH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6a]C[6a])	116.4865	0.354	2	116.4865	0.126	2	117.1417	10.873	9	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(CH3)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Br){2|C<3>,4|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6a]C[6a])	113.3477	0.322	3	113.3477	0.103	3	117.1417	10.873	9	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(CCCO)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(CCCO){1|H<1>,2|C<3>}	Br(C[6a]C[6,6a]C[6a])	120.1320	0.000	1	120.1320	0.000	1	117.1417	10.873	9	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Br){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6,6a]C[6a])	119.1420	0.000	1	119.1420	0.000	1	117.1417	10.873	9	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(Br){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6,6a]C[6a])	120.9925	0.083	2	120.9925	0.007	2	117.1417	10.873	9	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]B[6a]C)(Br)	C[6a](B[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]Br)(CCHH)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]B[6a]C)(Br){1|H<1>,4|C<3>}	C[6a](B[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]Br)(CCHH){5|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.3720	0.000	1	118.3720	0.000	1	118.2530	0.028	2	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:Br-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]B[6a]C)(Br)	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(CCHH)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]B[6a]C)(Br){1|H<1>,4|C<3>}	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(CCHH){5|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.1340	0.000	1	118.1340	0.000	1	118.2530	0.028	2	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CBrHH)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CBrHH){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.4210	0.000	1	119.4210	0.000	1	118.8890	0.592	3	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CCHH)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	119.2390	0.000	1	119.2390	0.000	1	118.8890	0.592	3	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	Br(C[6a]C[6a,6a]C[6a])	118.0070	0.000	1	118.0070	0.000	1	118.8890	0.592	3	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6,6a]C)(C[6a]C[6a]Br)(Br)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6a]C)(C[6a]C[6a]Br)(Br){1|C<3>,2|C<4>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	Br(C[6a]C[6a]2)	116.5810	0.933	2	116.5810	0.871	2	116.5810	0.871	2	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(CHHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(CHHO){1|O<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	117.9430	0.000	1	117.9430	0.000	1	117.9430	0.000	1	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	Br(C[6a]C[6a]2)	117.2996	0.399	5	117.2996	0.159	5	117.4214	0.305	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	118.4090	0.000	1	118.4090	0.000	1	117.4214	0.305	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]Br)(Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]Br)(Br){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<3>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]2)	117.0430	0.000	1	117.0430	0.000	1	117.4214	0.305	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(Br){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.2100	0.000	1	118.2100	0.000	1	118.9817	1.056	3	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(Br){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.5870	0.000	1	118.5870	0.000	1	118.9817	1.056	3	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(CH3){1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.1480	0.000	1	120.1480	0.000	1	118.9817	1.056	3	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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]H)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(Br){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(CCHH){2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	121.5920	0.000	1	121.5920	0.000	1	122.4695	0.536	4	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(Br){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	122.7620	0.539	3	122.7620	0.290	3	122.4695	0.536	4	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCCH){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]2)	123.1610	0.000	1	123.1610	0.000	1	123.1610	0.000	1	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CHHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CHHO){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	120.2425	0.523	2	120.2425	0.273	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(CCHH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.7730	0.000	1	119.7730	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(CH3){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	117.3600	0.159	5	117.3600	0.025	5	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(CCHH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.4900	0.105	2	119.4900	0.011	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CCCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CCCH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	120.5610	0.000	1	120.5610	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CH3){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	119.7840	0.404	2	119.7840	0.164	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CH3){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	121.3280	0.000	1	120.2750	2.218	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CH3){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	119.2220	0.000	1	120.2750	2.218	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(CCHH){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.0390	0.000	1	119.0390	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(Br){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(CCHH){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.1720	0.445	2	119.1720	0.198	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)2(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(Br){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(CH3){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	118.6205	0.223	2	118.6205	0.050	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6a]C[6a]2)	119.5380	0.000	1	119.5380	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C[6a](C[6a]C[6a]Br)2(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CCHH){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]2)	118.9458	0.956	4	118.9458	0.915	4	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(CH3){1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[6a]2)	120.3120	0.000	1	120.3120	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	120.5700	0.000	1	120.6738	0.198	5	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.6050	0.000	1	120.6738	0.198	5	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|S<4>}	Br(C[6a]C[6a]2)	121.2310	0.000	1	120.6738	0.198	5	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.4815	0.627	2	120.6738	0.198	5	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CHHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CHHO){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	121.0755	0.514	2	121.0755	0.264	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CN[5]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CN[5]HH){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	121.4265	0.473	4	121.4265	0.224	4	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CBrHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CBrHH){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.5090	0.137	2	120.5090	0.019	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC3){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	123.9510	0.429	2	123.9510	0.184	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	122.5135	1.172	2	121.4186	0.918	7	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.3760	0.000	1	121.4186	0.918	7	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.8817	0.441	4	121.4186	0.918	7	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.2590	0.000	1	121.2590	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	123.2823	1.108	4	123.2823	1.228	4	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	120.0225	0.374	4	120.2004	0.408	40	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.8805	0.503	2	120.2004	0.408	40	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.0472	0.956	6	120.2004	0.408	40	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.4120	0.437	2	120.2004	0.408	40	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	121.0700	0.000	1	120.2004	0.408	40	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.9327	0.926	4	120.2004	0.408	40	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.1075	0.462	21	120.2004	0.408	40	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	117.9056	4.388	11	117.9056	19.252	11	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.3887	0.918	9	120.3887	0.842	9	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[3]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[3]HH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.6810	0.112	2	120.6810	0.012	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5,5]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5,5]HH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.5590	0.000	1	120.5590	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.8545	0.262	2	121.4547	1.001	6	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.2548	1.219	4	121.4547	1.001	6	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7065	0.904	2	120.7065	0.818	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7750	0.830	2	120.7750	0.689	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7751	0.351	7	120.7751	0.123	7	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]2O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]2O){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	122.1430	0.000	1	122.1430	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]CH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.9810	0.000	1	120.9810	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.0490	0.000	1	120.0035	0.004	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9580	0.000	1	120.0035	0.004	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]CH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.5490	0.000	1	120.5490	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.3910	0.051	2	121.3910	0.003	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]SiH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]SiH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.7110	0.619	2	120.7110	0.384	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]CC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]CC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	122.9840	0.000	1	122.9840	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]CH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.2430	0.000	2	118.2430	0.000	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,1|F<1>,1|H<1>}	Br(C[6a]C[6a]2)	120.2790	0.553	2	120.6963	0.675	3	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.5310	0.000	1	120.6963	0.675	3	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCoHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCoHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.1900	0.000	1	121.1900	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CF3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	122.2470	0.086	5	122.2470	0.007	5	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	119.8500	0.000	1	119.8235	0.187	15	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.8440	0.000	1	119.8235	0.187	15	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.0740	0.000	1	119.8235	0.187	15	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	120.1307	0.194	3	119.8235	0.187	15	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]2)	119.5840	0.189	3	119.8235	0.187	15	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	120.0023	0.492	3	119.8235	0.187	15	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.5340	0.000	1	119.8235	0.187	15	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.4495	0.292	2	119.8235	0.187	15	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|Pt<4>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	121.4410	0.404	2	120.4931	0.960	27	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.3330	0.000	1	120.4931	0.960	27	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.2830	1.007	21	120.4931	0.960	27	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	121.0520	0.278	3	120.4931	0.960	27	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	119.1950	0.000	1	119.8295	0.583	12	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.8872	0.773	11	119.8295	0.583	12	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	121.0318	0.640	16	120.8522	0.548	20	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.3965	0.769	2	120.8522	0.548	20	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.8705	0.897	2	120.8522	0.548	20	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHNS)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHNS){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.3200	0.000	1	120.3200	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[3x6]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[3x6]HH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.2170	0.000	1	121.2170	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]2H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.2410	0.000	1	120.2410	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]CC)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]CC){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	123.8370	0.000	1	123.8370	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.5453	0.863	10	119.5453	0.745	10	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HP)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HP){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.9380	0.460	3	121.9380	0.212	3	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3100	0.570	3	119.3100	0.325	3	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.8470	0.892	5	120.8470	0.796	5	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CSeHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CSeHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.1535	0.408	2	120.1535	0.166	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.3630	0.000	1	120.1667	0.492	3	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.5685	0.124	2	120.1667	0.492	3	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CCHH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CCHH){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.7465	0.158	2	119.7465	0.025	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)2(CH3){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.1705	0.616	2	119.9545	0.190	4	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CH3){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.7385	0.073	2	119.9545	0.190	4	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]2)	118.8345	0.158	2	118.8345	0.025	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	120.5650	0.124	2	121.2285	0.592	4	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	121.8920	0.031	2	121.2285	0.592	4	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	120.5350	0.000	1	120.5350	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	120.4230	0.000	1	120.4230	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(CH3){1|C<3>,2|O<2>}	Br(C[6a]C[6a]2)	120.6670	0.446	4	120.1688	0.720	6	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br)	C[6a](C[6a]C[6a]Br)2(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CH3){1|O<2>,2|C<3>}	Br(C[6a]C[6a]2)	119.1725	0.163	2	120.1688	0.720	6	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|S<4>,2|C<3>}	Br(C[6a]C[6a]2)	117.9070	0.000	1	117.9070	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CH3){1|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	121.9100	0.000	1	121.9100	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CH3){1|H<1>,2|N<2>}	Br(C[6a]C[6a]2)	119.3110	0.000	1	119.3110	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	117.7236	0.527	20	117.7944	0.351	26	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	118.0305	0.785	6	117.7944	0.351	26	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	118.4820	0.742	2	118.4820	0.551	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<1>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	117.3370	0.392	2	118.4041	0.298	21	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	118.8780	0.024	2	118.4041	0.298	21	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	117.9980	0.000	1	118.4041	0.298	21	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,1|C<4>}	Br(C[6a]C[6a]2)	118.0700	0.000	1	118.4041	0.298	21	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	Br(C[6a]C[6a]2)	118.6665	0.599	6	118.4041	0.298	21	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	118.4686	0.213	7	118.4041	0.298	21	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	118.7280	0.000	1	118.4041	0.298	21	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	117.9820	0.000	1	118.4041	0.298	21	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHP)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.2010	0.542	2	118.2010	0.293	2	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.1265	0.674	2	118.3246	0.158	5	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	118.4567	0.154	3	118.3246	0.158	5	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	118.1266	0.797	8	118.1266	0.635	8	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(CH3){1|C<3>,1|C<4>,1|O<2>}	Br(C[6a]C[6a]2)	118.5670	0.000	1	118.5670	0.000	1	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Br)	C[6a](C[6a]C[6a]Br)2(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Br){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(CH3){1|C<3>,2|C<4>}	Br(C[6a]C[6a]2)	117.6999	0.746	36	117.6999	0.557	36	119.6969	2.847	382	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	Br(C[6a]C[6a]2)	119.4220	0.000	1	120.6000	2.490	3	120.6000	2.490	3	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.9850	0.000	1	120.6000	2.490	3	120.6000	2.490	3	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,4|H<1>}	Br(C[6a]C[6a]2)	122.3930	0.000	1	120.6000	2.490	3	120.6000	2.490	3	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	Br(C[6a]C[6a]2)	121.1970	0.000	1	120.6100	0.160	6	120.6100	0.160	6	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	Br(C[6a]C[6a]2)	120.4105	0.457	2	120.6100	0.160	6	120.6100	0.160	6	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	Br(C[6a]C[6a]2)	120.3430	0.000	1	120.6100	0.160	6	120.6100	0.160	6	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	Br(C[6a]C[6a]2)	120.6495	0.301	2	120.6100	0.160	6	120.6100	0.160	6	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	Br(C[6a]C[6a]2)	120.8300	0.000	1	120.2287	0.290	3	120.1862	0.298	6	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	Br(C[6a]C[6a]2)	119.9280	0.195	2	120.2287	0.290	3	120.1862	0.298	6	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	Br(C[6a]C[6a]2)	120.6780	0.000	1	120.1437	0.449	3	120.1862	0.298	6	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	119.8765	0.685	2	120.1437	0.449	3	120.1862	0.298	6	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	Br(C[6a]C[6a]2)	122.7480	0.000	1	122.4580	0.459	3	120.8866	2.242	14	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	Br(C[6a]C[6a]2)	122.3130	0.890	2	122.4580	0.459	3	120.8866	2.242	14	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	Br(C[6a]C[6a]2)	120.6480	0.000	1	120.9448	0.863	9	120.8866	2.242	14	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.5990	0.069	2	120.9448	0.863	9	120.8866	2.242	14	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.3220	0.000	1	120.9448	0.863	9	120.8866	2.242	14	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.5560	0.682	3	120.9448	0.863	9	120.8866	2.242	14	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){4|C<3>,4|H<1>}	Br(C[6a]C[6a]2)	119.8220	0.000	1	120.9448	0.863	9	120.8866	2.242	14	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){3|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.8450	0.000	1	120.9448	0.863	9	120.8866	2.242	14	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])2(Br){1|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,4|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	118.2675	0.411	2	118.2675	0.169	2	120.8866	2.242	14	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(NH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(NH3){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]2)	122.3950	0.000	1	122.3950	0.000	1	120.2680	1.632	5	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]2)	118.9790	0.000	1	119.5190	0.583	2	120.2680	1.632	5	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.0590	0.000	1	119.5190	0.583	2	120.2680	1.632	5	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	C[6a](C[6a]C[6a]Br)2(NH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)2(NH3){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9535	0.320	2	119.9535	0.103	2	120.2680	1.632	5	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6]2B)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6]2B){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	122.0255	0.244	2	122.0255	0.060	2	122.2656	0.941	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6a]2B)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6a]2B){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)	121.9360	0.000	1	122.1765	0.116	2	122.2656	0.941	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6a]2B)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6a]2B){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	122.4170	0.000	1	122.1765	0.116	2	122.2656	0.941	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(PC[6a]2O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(Br){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(PC[6a]2O){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]2)	120.7940	0.000	1	120.7940	0.000	1	122.2656	0.941	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6]2O)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6]2O){1|N<2>,2|O<2>}	Br(C[6a]C[6a]2)	123.3305	0.951	2	123.3305	0.905	2	122.2656	0.941	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SNOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SNOO){1|C<4>,2|C<3>}	Br(C[6a]C[6a]2)	120.8120	0.000	1	120.8120	0.000	1	122.2021	0.589	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SCNO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SCNO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	122.6320	0.000	1	122.6320	0.000	1	122.2021	0.589	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SCOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SCOO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	122.4200	0.000	1	122.4200	0.000	1	122.2021	0.589	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[5a]OO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SC[5a]OO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	122.8920	0.232	2	122.8920	0.054	2	122.2021	0.589	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SNOO)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SNOO){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	121.8835	0.402	2	121.8835	0.162	2	122.2021	0.589	7	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Si)(Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(SiC3)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Si)(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(SiC3){1|H<1>,2|C<3>}	Br(C[6a]C[6a]2)	119.6120	0.000	1	119.6120	0.000	1	119.6241	0.310	11	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SiC[6a]2F)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SiC[6a]2F){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.9690	0.457	6	119.9690	0.209	6	119.6241	0.310	11	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SiC[6a]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SiC[6a]2H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	118.9400	0.000	1	119.1097	0.093	4	119.6241	0.310	11	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SiC[6a]2H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SiC[6a]2H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.1663	0.346	3	119.1097	0.093	4	119.6241	0.310	11	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(CH3)	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	Br(C[6a]C[6a]2)	120.4845	0.663	2	120.4845	0.439	2	120.4845	0.439	2	119.7516	3.207	483	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:4:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(CC[5,6,6]HH)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(CC[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	123.1410	4.091	2	123.1410	16.739	2	122.0017	12.264	3	121.4785	5.271	6	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:4:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(CC[6a]B[5]H)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(CC[6a]B[5]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	119.7230	0.000	1	119.7230	0.000	1	122.0017	12.264	3	121.4785	5.271	6	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:4:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6a]C[6a]Br)(C[5]C[5]2Fe)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	120.7390	0.000	1	120.7390	0.000	1	120.7390	0.000	1	121.4785	5.271	6	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:4:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6]C[6]2Cr)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6]C[6]2Cr)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	121.3030	0.000	1	121.3030	0.000	1	121.3030	0.000	1	121.4785	5.271	6	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	3:4:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:P-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br)	C[6a](C[6a]C[6a]Br)(PC[6a]C[5]B)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(PC[6a]C[5]B)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]2)	120.8240	0.000	1	120.8240	0.000	1	120.8240	0.000	1	121.4785	5.271	6	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	121.4940	0.000	1	121.4940	0.000	1	122.2947	0.617	3	121.9713	0.594	7	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	122.6950	0.522	2	122.6950	0.272	2	122.2947	0.617	3	121.9713	0.594	7	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	Br(C[6a]C[6a]2)	122.3885	0.076	2	122.3885	0.006	2	121.7287	0.594	4	121.9713	0.594	7	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	120.9380	0.000	1	121.0690	0.034	2	121.7287	0.594	4	121.9713	0.594	7	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:2:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	Br(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	121.2000	0.000	1	121.0690	0.034	2	121.7287	0.594	4	121.9713	0.594	7	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(Br)	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	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>}	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>}	Br(C[6a]C[6a]2)	121.2200	0.000	1	121.2200	0.000	1	121.2200	0.000	1	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.8810	0.000	1	119.8810	0.000	1	119.9903	0.954	3	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.0730	0.000	1	119.0730	0.000	1	119.9903	0.954	3	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	Br(C[6a]C[6a]2)	121.0170	0.000	1	121.0170	0.000	1	119.9903	0.954	3	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	Br(C[6a]C[6a]2)	120.8960	0.000	1	120.8960	0.000	1	120.8960	0.000	1	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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]Br)(Br)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|Br<1>,1|C<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	121.6920	0.000	1	121.6920	0.000	1	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	121.0250	0.000	1	121.0250	0.000	1	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	Br(C[6a]C[6a]2)	120.3320	0.000	1	120.3320	0.000	1	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	121.5860	0.000	1	121.5860	0.000	1	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	Br(C[6a]C[6a]2)	121.4470	0.000	1	120.9151	1.048	10	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	121.6810	0.000	1	120.9151	1.048	10	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	121.2105	0.592	2	120.9151	1.048	10	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	122.2240	0.000	1	120.9151	1.048	10	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){4|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	121.4120	0.000	1	120.9151	1.048	10	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.1590	0.000	1	120.9151	1.048	10	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.5605	1.334	2	120.9151	1.048	10	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.6860	0.000	1	120.9151	1.048	10	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	120.5420	0.000	1	120.5420	0.000	1	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	Br(C[6a]C[6a]2)	122.4630	0.000	1	122.1055	0.256	2	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.7480	0.000	1	122.1055	0.256	2	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.9180	0.000	1	120.3510	0.375	2	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	120.7840	0.000	1	120.3510	0.375	2	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.1920	0.000	1	120.1920	0.000	1	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.5485	1.060	4	121.5680	0.845	5	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	121.6460	0.000	1	121.5680	0.845	5	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	122.9660	0.000	1	122.8780	0.015	2	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	122.7900	0.000	1	122.8780	0.015	2	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	123.1810	0.000	1	123.1810	0.000	1	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]C)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]C){2|C<3>,2|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	120.2480	0.000	1	120.2480	0.000	1	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	121.3730	0.000	1	120.8385	0.234	6	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.4110	0.000	1	120.8385	0.234	6	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	120.4710	0.000	1	120.8385	0.234	6	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	120.1950	0.000	1	120.8385	0.234	6	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.8070	0.000	1	120.8385	0.234	6	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.7740	0.000	1	120.8385	0.234	6	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	122.6110	0.000	1	122.6110	0.000	1	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	Br(C[6a]C[6a]2)	120.8430	0.000	1	120.8430	0.000	1	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[6a]2)	121.4970	0.000	1	121.4970	0.000	1	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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]O)(Br)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	Br(C[6a]C[6a]2)	120.8233	0.152	3	120.8233	0.023	3	121.1929	0.893	41	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	Br(C[6a]C[6a]2)	120.1280	0.000	1	120.1280	0.000	1	120.1280	0.000	1	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br)	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	Br(C[6a]C[6a]2)	121.0320	0.000	1	121.0320	0.000	1	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	120.8420	0.141	2	120.8420	0.020	2	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	121.9230	0.000	1	121.9230	0.000	1	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	121.5230	0.000	1	121.5640	0.003	2	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.6050	0.000	1	121.5640	0.003	2	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.9240	0.000	1	120.9240	0.000	1	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	121.8940	0.000	1	121.8940	0.000	1	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	121.1940	0.000	1	121.1940	0.000	1	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	122.0680	0.000	1	121.1634	0.821	5	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	Br(C[6a]C[6a]2)	120.2010	0.057	2	121.1634	0.821	5	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Br(C[6a]C[6a]2)	121.6735	0.298	2	121.1634	0.821	5	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	121.9940	0.000	1	121.2504	0.218	5	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	121.0645	0.247	4	121.2504	0.218	5	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	120.9665	0.763	2	120.9665	0.582	2	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){3|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	120.5170	0.000	1	120.5170	0.000	1	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	119.6050	0.000	1	119.6050	0.000	1	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	Br(C[6a]C[6a]2)	120.8795	0.459	2	120.7225	0.104	4	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	Br(C[6a]C[6a]2)	120.5655	0.049	2	120.7225	0.104	4	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	Br(C[6a]C[6a]2)	121.0250	0.000	1	122.4545	13.706	4	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){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]Br)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	119.6310	0.000	1	122.4545	13.706	4	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	124.5810	4.697	2	122.4545	13.706	4	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	Br(C[6a]C[6a]2)	123.1640	0.000	1	123.0550	0.117	3	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	Br(C[6a]C[6a]2)	123.0005	0.465	2	123.0550	0.117	3	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]2)	119.9895	0.221	2	119.9895	0.049	2	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818
643	643	924	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Br-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)(Br)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Br(C[6a]C[6a]2)	119.9670	0.086	2	119.9670	0.007	2	121.2550	2.017	38	121.1625	1.404	85	119.2386	1.555	19324	119.2572	1.641	19818