762	762	961	0:SP2_SP2_SP3	C[6,6]	C[6]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6]-3:C[6]-3:S[6]-4:	C[5a,6]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:O-1:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5a,6]O)(S[6]C[6]OO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]S[6])(O)	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[5a,6]O)(S[6]C[6]OO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]S[6])(O){1|C<4>,2|N<3>,2|O<1>,3|C<3>}	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	115.9485	1.008	2	115.9485	1.015	2	115.9485	1.015	2	115.9485	1.015	2	117.4730	3.971	4	117.4730	3.971	4
762	762	961	0:SP2_SP2_SP3	C[6,6]	C[6]	S[6]	3:4:3:	3:3:1:	3:4:1:1:	C[6,6]-3:S[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(S[6]C[6]OO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]S[6])(C[6]C[6a]S[6])(H)	S[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)2	C[6,6](C[6,6]C[6,6a]O[6])(S[6]C[6]OO)(C[6]C[6]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6a]S[6])(H){1|C<4>,1|O<2>,3|C<3>,4|O<1>}	S[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)2{1|H<1>,1|O<2>,3|C<3>}	118.1030	0.000	1	118.1030	0.000	1	118.1030	0.000	1	118.1030	0.000	1	117.4730	3.971	4	117.4730	3.971	4
762	762	961	0:SP2_SP2_SP3	C[6,6]	C[6]	S[6]	4:4:3:	3:4:1:	3:3:1:1:	C[6,6]-4:S[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:N[5,6]-3:O-1:O-1:	C[6,6](C[6,6]C[6]2H)(S[6]N[5,6]OO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)	S[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]N[5])(O)2	C[6,6](C[6,6]C[6]2H)(S[6]N[5,6]OO)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	S[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]N[5])(O)2{2|C<3>,3|C<4>,3|H<1>}	119.8920	0.000	1	119.8920	0.000	1	119.8920	0.000	1	119.8920	0.000	1	117.4730	3.971	4	117.4730	3.971	4
762	762	961	6:SP2_SP2_SP3	C[6,6]	C[6,6]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6]-3:C[6]-3:S[6]-4:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O-1:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5a,6]O)(S[6]C[6]OO)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H)	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[5a,6]O)(S[6]C[6]OO){1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,3|O<1>}	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.7930	0.105	2	121.7930	0.011	2	121.7930	0.011	2	121.7930	0.011	2	118.6962	6.001	6	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6,6]	C[6,6]	S[6]	3:4:2:	3:2:2:	3:3:1:1:	C[6,6]-3:S[6]-4:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:N[6]-3:O-1:O-1:	C[6,6](C[6,6]C[6]2)(S[6]N[6]OO)(C[6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])2	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]2)(O)2	C[6,6](C[6,6]C[6]2)(S[6]N[6]OO)(C[6]C[6]){1|C<2>,2|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])2{1|C<2>,1|C<3>,1|N<3>,2|O<1>}	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]2)(O)2{1|C<3>,5|C<2>}	116.7470	0.000	1	116.7470	0.000	1	116.7470	0.000	1	116.7470	0.000	1	118.6962	6.001	6	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6,6]	C[6,6]	S[6]	3:4:3:	3:3:2:	3:4:1:1:	C[6,6]-3:S[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(S[6]C[6]OO)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]S[6])	S[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)2	C[6,6](C[6,6]C[6,6a]O[6])(S[6]C[6]OO)(C[6]C[6]H){1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]S[6]){1|C<4>,2|H<1>,3|C<3>,4|O<1>}	S[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)2{1|H<1>,1|O<2>,3|C<3>}	117.9160	0.000	1	117.9160	0.000	1	117.9160	0.000	1	117.9160	0.000	1	118.6962	6.001	6	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6,6]	C[6,6]	S[6]	3:4:4:	3:3:2:	3:2:1:1:	C[6,6]-3:C[6]-4:S[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:O[6]-2:O-1:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(S[6]O[6]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]C[6])	S[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(S[6]O[6]OO){1|C<2>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	S[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{1|H<1>,1|O<2>,4|C<3>}	116.5140	0.000	1	116.5140	0.000	1	116.5140	0.000	1	116.5140	0.000	1	118.6962	6.001	6	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6,6]	C[6,6]	S[6]	4:3:4:	3:3:2:	3:3:1:1:	C[5,6]-4:C[6,6]-3:S[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:N[6]-3:O-1:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(S[6]N[6]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]S[6])(O[6]C[6])	S[6](C[6,6]C[5,6]C[6,6])(N[6]C[6,6a]C)(O)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(S[6]N[6]OO){1|C<2>,1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]S[6])(O[6]C[6]){1|H<1>,2|N<3>,2|O<1>,5|C<3>}	S[6](C[6,6]C[5,6]C[6,6])(N[6]C[6,6a]C)(O)2{1|O<2>,5|C<3>}	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	118.6962	6.001	6	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6a]-3:S[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:O-1:	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(S[6]O[6]OO)	C[6](C[6,6]C[6,6]S[6])(C[6]C[6a]S[6])(H)	S[6](C[6]C[6a]C[6])(O[6]C[6,6])(O)2	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(S[6]O[6]OO){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6a]S[6])(H){1|C<4>,1|O<2>,3|C<3>,4|O<1>}	S[6](C[6]C[6a]C[6])(O[6]C[6,6])(O)2{1|H<1>,4|C<3>}	115.6040	0.000	1	115.6040	0.000	1	115.6040	0.000	1	115.6040	0.000	1	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H)	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]N[6]OO){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2{1|H<1>,4|C<3>}	117.0410	0.000	1	117.0410	0.000	1	117.0410	0.000	1	116.9845	0.006	2	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:C[6]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:O-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H)	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(S[6]N[6]OO){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H){1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2{1|H<1>,1|N<2>,3|C<3>}	116.9280	0.000	1	116.9280	0.000	1	116.9280	0.000	1	116.9845	0.006	2	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6]-3:S[6]-4:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[5a]N[6])(S[6]C[6]OO)(H)	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H)	S[6](C[6]C[6]H)2(O)2	C[6](C[6]C[5a]N[6])(S[6]C[6]OO)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	S[6](C[6]C[6]H)2(O)2{1|N<3>,2|C<3>}	124.2420	0.000	1	124.2420	0.000	1	124.2420	0.000	1	123.1739	0.581	10	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6]-3:S[6]-4:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]N[6])(S[6]C[6]OO)(H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	S[6](C[6]C[6]C)(C[6]C[6]H)(O)2	C[6](C[6]C[6]N[6])(S[6]C[6]OO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	S[6](C[6]C[6]C)(C[6]C[6]H)(O)2{1|N<3>,2|C<3>}	122.5960	1.042	2	122.5960	1.086	2	123.0300	0.623	4	123.1739	0.581	10	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6]-3:S[6]-4:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]N[6])(S[6]C[6]OO)(H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	S[6](C[6]C[6]H)2(O)2	C[6](C[6]C[6]N[6])(S[6]C[6]OO)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	S[6](C[6]C[6]H)2(O)2{1|N<3>,2|C<3>}	123.4640	0.168	2	123.4640	0.028	2	123.0300	0.623	4	123.1739	0.581	10	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6]-3:S[6]-4:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]H)(N[6]C[6]H)	S[6](C[6]C[6]H)2(O)2	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]H)(N[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	S[6](C[6]C[6]H)2(O)2{1|N<3>,2|C<3>}	123.4735	0.551	2	123.4735	0.303	2	123.0754	0.521	5	123.1739	0.581	10	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6]-3:S[6]-4:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H)	S[6](C[6]C[6]H)2(O)2	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	S[6](C[6]C[6]H)2(O)2{1|C<3>,1|C<4>,1|N<3>}	123.6500	0.000	1	122.8100	0.627	3	123.0754	0.521	5	123.1739	0.581	10	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6]-3:S[6]-4:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H)	S[6](C[6]C[6]H)2(O)2	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H){1|H<1>,2|O<1>,4|C<3>}	S[6](C[6]C[6]H)2(O)2{1|N<3>,2|C<3>}	122.3900	0.441	2	122.8100	0.627	3	123.0754	0.521	5	123.1739	0.581	10	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:3:	3:3:1:	3:2:1:1:	C[6a]-3:S[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:O-1:	C[6](C[6a]C[6a]2)(S[6]O[6]OO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]S[6])(H)	S[6](C[6]C[6a]C[6])(O[6]C[6])(O)2	C[6](C[6a]C[6a]2)(S[6]O[6]OO)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]S[6])(H){1|O<2>,2|O<1>,5|C<3>}	S[6](C[6]C[6a]C[6])(O[6]C[6])(O)2{1|H<1>,4|C<3>}	114.6670	0.000	1	114.6670	0.000	1	114.6670	0.000	1	114.6670	0.000	1	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:3:	3:3:2:	3:3:1:1:	C[6]-3:S[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CNO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	117.8735	0.142	2	117.8735	0.020	2	117.0437	1.126	7	117.0437	1.126	7	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:3:	3:3:2:	3:3:1:1:	C[6]-3:S[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CNO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	116.1010	0.197	2	116.1010	0.039	2	117.0437	1.126	7	117.0437	1.126	7	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:3:	3:3:2:	3:3:1:1:	C[6]-3:S[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	116.4110	0.720	2	116.4110	0.518	2	117.0437	1.126	7	117.0437	1.126	7	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:3:	3:3:2:	3:3:1:1:	C[6]-3:S[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|Cl<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	118.5350	0.000	1	118.5350	0.000	1	117.0437	1.126	7	117.0437	1.126	7	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:3:	3:3:4:	3:3:1:1:	C[6]-3:S[6]-4:C-3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]C)(S[6]N[6]OO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	C[6](C[6]C[6,6a]C)(S[6]N[6]OO)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|C<4>,2|C<3>}	118.0580	0.000	1	118.0580	0.000	1	119.1330	2.311	2	119.1330	2.311	2	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:3:	3:3:4:	3:3:1:1:	C[6]-3:S[6]-4:C-3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]C)(S[6]N[6]OO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2	C[6](C[6]C[6,6a]C)(S[6]N[6]OO)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2{1|C<4>,2|C<3>}	120.2080	0.000	1	120.2080	0.000	1	119.1330	2.311	2	119.1330	2.311	2	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:4:	3:3:1:	2:3:1:1:	C[6]-3:C-4:S[6]-4:	C[6,6a]-3:C[6]-3:O-1:	O[6]-2:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O)	S[6](O[6]C[6,6a])(C[6]C[6]C)(O)2	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]O[6]OO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	S[6](O[6]C[6,6a])(C[6]C[6]C)(O)2{1|O<1>,2|C<3>}	118.2060	0.000	1	118.2060	0.000	1	118.2060	0.000	1	118.2060	0.000	1	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:4:	3:3:1:	3:3:1:1:	C[6]-3:C-4:S[6]-4:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]N[6]OO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<1>,2|C<3>}	120.0040	0.000	1	120.0040	0.000	1	120.0040	0.000	1	120.0040	0.000	1	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:4:	3:3:2:	2:3:1:1:	C[6]-3:C-4:S[6]-4:	C[6,6a]-3:C[6]-3:O-2:	O[6]-2:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	S[6](O[6]C[6,6a])(C[6]C[6]C)(O)2	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]O[6]OO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	S[6](O[6]C[6,6a])(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	115.6550	0.000	1	115.6550	0.000	1	115.6550	0.000	1	115.6550	0.000	1	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:4:	3:3:2:	3:3:1:1:	C[6]-3:C-4:S[6]-4:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]N[6]OO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	116.8960	0.000	1	116.8960	0.000	1	116.8960	0.000	1	116.8960	0.000	1	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[6]-3:S[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(CH3)	C[6](C[6a]C[6a]2)(C[6]S[6]C)(N[6]C[6]H)	S[6](C[6]C[6]C)(C[6]C[6]H)(O)2	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(CH3){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]C)(N[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	S[6](C[6]C[6]C)(C[6]C[6]H)(O)2{1|N<3>,2|C<3>}	121.5460	0.000	1	121.5460	0.000	1	121.5460	0.000	1	121.5460	0.000	1	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	4:3:1:	3:2:1:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:O-1:O-1:	C[6](S[6]C[6]OO)(C[6]S[6]H)(H)	C[6](C[6]S[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]H)2(O)2	C[6](S[6]C[6]OO)(C[6]S[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]S[6]H)(S[6]C[6])(H){1|Si<4>,1|C<3>,2|O<1>}	S[6](C[6]C[6]H)2(O)2{1|Si<4>,1|H<1>,1|S<2>}	125.5120	0.079	2	125.5120	0.006	2	125.5120	0.006	2	125.5120	0.006	2	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	4:3:1:	3:2:4:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	C[6]-3:S[6]-2:Si-4:	C[6]-3:C[6]-3:O-1:O-1:	C[6](S[6]C[6]OO)(C[6]S[6]Si)(H)	C[6](C[6]S[6]H)(S[6]C[6])(SiC3)	S[6](C[6]C[6]H)2(O)2	C[6](S[6]C[6]OO)(C[6]S[6]Si)(H){1|C<3>,1|H<1>}	C[6](C[6]S[6]H)(S[6]C[6])(SiC3){1|C<3>,1|H<1>,2|O<1>}	S[6](C[6]C[6]H)2(O)2{1|Si<4>,1|H<1>,1|S<2>}	128.7040	0.909	2	128.7040	0.827	2	128.7040	0.827	2	128.7040	0.827	2	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	4:3:1:	3:3:1:	3:2:3:1:	S[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:O-1:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]H)(H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]H)(O)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]H)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]H)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]H)(O){3|H<1>,4|C<3>}	119.9715	0.697	2	119.9715	0.485	2	119.9715	0.485	2	119.9715	0.485	2	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	4:3:1:	3:3:1:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:O-1:	C[6](S[6]C[6,6]OO)(C[6]N[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]S[6]H)(H)	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)2	C[6](S[6]C[6,6]OO)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]S[6]H)(H){2|C<3>,2|O<1>}	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.8865	0.432	2	123.8865	0.187	2	123.8865	0.187	2	123.8865	0.187	2	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	4:3:1:	3:3:4:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:O-1:O-1:	C[6](S[6]N[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]S[6]H)(CH3)	S[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)2	C[6](S[6]N[6]OO)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]S[6]H)(CH3){1|C<4>,1|N<3>,2|O<1>}	S[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)2{2|C<4>,3|C<3>}	120.9100	0.000	1	120.9100	0.000	1	120.9100	0.000	1	122.5550	5.412	2	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	4:3:1:	3:3:4:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-1:O-1:	C[6](S[6]C[6]OO)(C[6]N[6]C)(H)	C[6](C[6]S[6]H)(N[6]C[6]H)(CH3)	S[6](C[6]C[6]H)2(O)2	C[6](S[6]C[6]OO)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]S[6]H)(N[6]C[6]H)(CH3){2|C<3>,2|O<1>}	S[6](C[6]C[6]H)2(O)2{1|C<3>,1|C<4>,1|N<3>}	124.2000	0.000	1	124.2000	0.000	1	124.2000	0.000	1	122.5550	5.412	2	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	4:3:2:	3:3:2:	3:3:1:1:	S[6]-4:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:O-1:O-1:	C[6](S[6]C[6,6a]OO)(C[6]C[6]S)(SC[6a])	C[6](C[6]C[6,6a]O)(C[6]S[6]S)(SC[6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)2	C[6](S[6]C[6,6a]OO)(C[6]C[6]S)(SC[6a]){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]S[6]S)(SC[6a]){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)2{1|H<1>,1|S<2>,3|C<3>}	122.6920	0.000	1	122.6920	0.000	1	122.6920	0.000	1	122.6920	0.000	1	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	4:3:3:	3:2:4:	4:3:1:1:	S[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:O-1:O-1:	C[6](S[6]C[6]OO)(C[6]O[6]C)(CNO)	C[6](C[6]S[6]C)(O[6]C[6])(CH3)	S[6](C[6]C[6]HH)(C[6]C[6]C)(O)2	C[6](S[6]C[6]OO)(C[6]O[6]C)(CNO){1|C<4>,2|H<1>}	C[6](C[6]S[6]C)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|O<1>}	S[6](C[6]C[6]HH)(C[6]C[6]C)(O)2{1|C<4>,1|O<2>,2|H<1>}	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	120.7780	13.123	41	120.5122	12.556	47
762	762	961	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	4:3:4:	2:3:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-2:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O-1:O-1:	C[6](S[6]N[5,6]OO)(C[6]N[6]H)(CH3)	C[6](N[6]C[5,6])(C[6]S[6]C)(H)	S[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O)2	C[6](S[6]N[5,6]OO)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>}	C[6](N[6]C[5,6])(C[6]S[6]C)(H){1|N<3>,1|S<2>,2|O<1>}	S[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O)2{1|C<4>,1|N<2>,1|S<2>,3|H<1>}	120.9170	0.000	1	120.9170	0.000	1	120.9170	0.000	1	120.9170	0.000	1	120.7780	13.123	41	120.5122	12.556	47
762	762	969	0:SP2_SP-NON_SP2	C[6]	C[6]	Ga	3:3:3:	3:2:1:	3:3:3:	Ga-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[5]-3:C[6a]-3:C[6]-3:	C[6](GaC[6a]N[5])(C[6]C[6]H)2	C[6](C[6]C[6]Ga)(C[6]C[6])(H)	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	C[6](GaC[6a]N[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]Ga)(C[6]C[6])(H){1|C<3>,2|H<1>}	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	121.7680	0.000	1	121.7680	0.000	1	121.7680	0.000	1	121.7680	0.000	1	121.7710	0.000	2	121.7710	0.000	2
762	762	969	0:SP2_SP-NON_SP2	C[6]	C[6]	Ga	3:3:3:	3:3:1:	3:3:3:	Ga-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6a]-3:C[6]-3:	C[6](GaC[6a]N[5])(C[6]C[6]H)2	C[6](C[6]C[6]Ga)(C[6]C[6]H)(H)	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	C[6](GaC[6a]N[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]Ga)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	121.7740	0.000	1	121.7740	0.000	1	121.7740	0.000	1	121.7740	0.000	1	121.7710	0.000	2	121.7710	0.000	2
762	762	975	0:SP2_SP2_SP3	C[6]	C[6]	Se[6]	3:2:2:	3:3:2:	3:3:	C[6]-3:Se[6]-2:C[6]-2:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6])	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6])	Se[6](C[6]C[6a]C[6])(C[6]C[6]2)	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6]){1|H<1>,6|C<3>}	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	Se[6](C[6]C[6a]C[6])(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1
762	762	975	6:SP2_SP2_SP3	C[6]	C[6]	Se[6]	2:3:1:	3:3:1:	3:3:	Se[6]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6](Se[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]Se[6]H)(H)	Se[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](Se[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]Se[6]H)(H){2|C<3>}	Se[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	120.7970	0.000	1	120.7970	0.000	1	120.7970	0.000	1	122.9710	9.453	2	123.8047	8.165	10	123.8047	8.165	10
762	762	975	6:SP2_SP2_SP3	C[6]	C[6]	Se[6]	2:3:1:	3:3:1:	3:3:	Se[6]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](Se[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]Se[6]H)(H)	Se[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6](Se[6]C[5a,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]Se[6]H)(H){2|C<3>}	Se[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	125.1450	0.000	1	125.1450	0.000	1	125.1450	0.000	1	122.9710	9.453	2	123.8047	8.165	10	123.8047	8.165	10
762	762	975	6:SP2_SP2_SP3	C[6]	C[6]	Se[6]	2:3:3:	3:3:2:	3:3:	Se[6]-2:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:Se-2:	C[6,6a]-3:C[6]-3:	C[6](Se[6]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]Se)	C[6](C[6]C[6a]Se[6])(C[6]C[6,6a]C)(SeC[6a])	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6](Se[6]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]Se){2|H<1>,5|C<3>}	C[6](C[6]C[6a]Se[6])(C[6]C[6,6a]C)(SeC[6a]){4|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|Se<2>,1|H<1>,5|C<3>}	122.2200	0.000	1	122.2200	0.000	1	122.2200	0.000	1	122.2200	0.000	1	123.8047	8.165	10	123.8047	8.165	10
762	762	975	6:SP2_SP2_SP3	C[6]	C[6]	Se[6]	3:2:2:	3:2:2:	4:3:	C[6]-3:Se[6]-2:S-2:	C[6]-3:Se[6]-2:S-2:	C[6]-4:C[6]-3:	C[6](C[6]Se[6]S)(Se[6]C[6])(SNi)	C[6](C[6]Se[6]S)(Se[6]C[6])(SNi)	Se[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]Se[6]S)(Se[6]C[6])(SNi){1|C<4>,2|H<1>}	C[6](C[6]Se[6]S)(Se[6]C[6])(SNi){1|C<4>,2|H<1>}	Se[6](C[6]C[6]HH)(C[6]C[6]S){1|Se<2>,1|S<2>,2|H<1>}	126.2265	1.948	2	126.2265	3.795	2	126.2265	3.795	2	126.2265	3.795	2	123.8047	8.165	10	123.8047	8.165	10
762	762	975	6:SP2_SP2_SP3	C[6]	C[6]	Se[6]	3:2:2:	3:3:2:	3:3:	C[6]-3:Se[6]-2:Se-2:	C[6]-3:C[6a]-3:Se[6]-2:	C[6]-3:C[6]-3:	C[6](C[6]C[6a]Se[6])(Se[6]C[6])(SeSe)	C[6](C[6]Se[6]Se)(C[6a]C[6a]2)(Se[6]Se[6])	Se[6](C[6]C[6]Se)(C[6]Se[6]C)	C[6](C[6]C[6a]Se[6])(Se[6]C[6])(SeSe){1|Se<2>,3|C<3>}	C[6](C[6]Se[6]Se)(C[6a]C[6a]2)(Se[6]Se[6]){2|C<4>,3|C<3>}	Se[6](C[6]C[6]Se)(C[6]Se[6]C){1|Se<2>,1|C<3>}	128.2730	0.000	1	128.2730	0.000	1	128.2730	0.000	1	128.2730	0.000	1	123.8047	8.165	10	123.8047	8.165	10
762	762	975	6:SP2_SP2_SP3	C[6]	C[6]	Se[6]	3:3:2:	3:2:2:	3:2:	C[6]-3:C[6a]-3:Se[6]-2:	C[6]-3:Se[6]-2:Se-2:	C[6]-3:Se[6]-2:	C[6](C[6]Se[6]Se)(C[6a]C[6a]2)(Se[6]Se[6])	C[6](C[6]C[6a]Se[6])(Se[6]C[6])(SeSe)	Se[6](C[6]C[6a]C[6])(Se[6]C[6])	C[6](C[6]Se[6]Se)(C[6a]C[6a]2)(Se[6]Se[6]){2|C<4>,3|C<3>}	C[6](C[6]C[6a]Se[6])(Se[6]C[6])(SeSe){1|Se<2>,3|C<3>}	Se[6](C[6]C[6a]C[6])(Se[6]C[6]){2|Se<2>,3|C<3>}	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	123.8047	8.165	10	123.8047	8.165	10
762	762	975	6:SP2_SP2_SP3	C[6]	C[6]	Se[6]	3:3:2:	4:3:1:	3:3:	C[6a]-3:C[6]-3:Se[6]-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6])	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H)	Se[6](C[6]C[6a]C[6])(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6]){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H){7|C<3>}	Se[6](C[6]C[6a]C[6])(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	123.0770	0.000	1	123.0770	0.000	1	123.4070	0.238	3	123.4070	0.238	3	123.8047	8.165	10	123.8047	8.165	10
762	762	975	6:SP2_SP2_SP3	C[6]	C[6]	Se[6]	3:3:2:	4:3:1:	3:3:	C[6a]-3:C[6]-3:Se[6]-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6])	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H)	Se[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6]){2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H){1|C<2>,1|H<1>,6|C<3>}	Se[6](C[6]C[6a]C[6])2{1|C<4>,2|H<1>,4|C<3>}	123.5720	0.560	2	123.5720	0.314	2	123.4070	0.238	3	123.4070	0.238	3	123.8047	8.165	10	123.8047	8.165	10
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	2:3:1:	3:3:1:	3:	O[6]-2:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]C)(C[6]O[6]S)(H)	S(C[6]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(S){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]O[6]S)(H){2|C<3>}	S(C[6]C[6]O[6])	125.2550	0.000	1	125.2550	0.000	1	124.7493	0.473	4	124.5086	0.644	5	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	2:3:1:	3:3:1:	3:	O[6]-2:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]H)(C[6]O[6]S)(H)	S(C[6]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(S){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]S)(H){2|C<3>}	S(C[6]C[6]O[6])	124.5807	0.734	3	124.5807	0.539	3	124.7493	0.473	4	124.5086	0.644	5	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	2:3:1:	3:3:1:	3:	S[6]-2:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](S[6]C[6,6a])(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]H)(C[6]S[6]S)(H)	S(C[6]C[6]S[6])	C[6](S[6]C[6,6a])(C[6]C[6]H)(S){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]S[6]S)(H){2|C<3>}	S(C[6]C[6]S[6])	123.5460	0.000	1	123.5460	0.000	1	123.5460	0.000	1	124.5086	0.644	5	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:2:1:	3:3:3:	3:	C[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6])(S)	C[6](C[6]N[6]C)(C[6]N[6]S)(CCO)	S(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6])(S){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]S)(CCO){1|C<3>,1|C<4>}	S(C[6]C[6]N[6])	122.1990	0.000	1	122.1990	0.000	1	122.5415	0.235	2	122.5415	0.235	2	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:2:1:	3:3:3:	3:	C[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6])(S)	C[6](C[6]N[6]C)(C[6]N[6]S)(COO)	S(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6])(S){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]S)(COO){1|C<3>,1|C<4>}	S(C[6]C[6]N[6])	122.8840	0.000	1	122.8840	0.000	1	122.5415	0.235	2	122.5415	0.235	2	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:2:1:	3:3:4:	3:	C[6]-3:S[6]-2:S-1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5a,6]C)(S[6]C[6])(S)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3)	S(C[6]C[6]S[6])	C[6](C[6]C[5a,6]C)(S[6]C[6])(S){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3){1|N<3>,3|C<3>}	S(C[6]C[6]S[6])	126.2800	0.000	1	126.2800	0.000	1	126.2800	0.000	1	126.2800	0.000	1	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	2:3:3:	3:	N[6]-3:C[6]-3:S-1:	N[6]-2:C[6]-3:N-3:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S)	C[6](N[6]C[6,6a])(C[6]N[6]S)(NC[6]H)	S(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]S)(NC[6]H){1|H<1>,2|C<3>}	S(C[6]C[6]N[6])	122.7730	0.000	1	122.7730	0.000	1	123.4475	0.910	2	123.4475	0.910	2	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	2:3:3:	3:	N[6]-3:C[6]-3:S-1:	N[6]-2:C[6]-3:N-3:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S)	C[6](N[6]C[6,6a])(C[6]N[6]S)(NHN)	S(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]S)(NHN){1|H<1>,2|C<3>}	S(C[6]C[6]N[6])	124.1220	0.000	1	124.1220	0.000	1	123.4475	0.910	2	123.4475	0.910	2	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:2:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)(N[6]C[6])(H)	S(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(S){1|C<3>,1|H<1>}	C[6](C[6]N[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6]C[6]N[6])	122.4520	0.000	1	122.0770	0.409	3	122.0770	0.409	3	122.0770	0.409	3	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:2:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)(N[6]C[6])(H)	S(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(S){2|C<3>}	C[6](C[6]N[6]S)(N[6]C[6])(H){1|C<4>,2|C<3>}	S(C[6]C[6]N[6])	121.8895	0.779	2	122.0770	0.409	3	122.0770	0.409	3	122.0770	0.409	3	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:2:3:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-2:N-3:	C[6]-3:	C[6](C[6]N[6]N)(N[6]C[6]H)(S)	C[6](C[6]N[6]S)(N[6]C[6])(NC[6]H)	S(C[6]C[6]N[6])	C[6](C[6]N[6]N)(N[6]C[6]H)(S){1|C<3>,1|H<1>}	C[6](C[6]N[6]S)(N[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])	123.2760	0.000	1	123.2760	0.000	1	123.2760	0.000	1	123.2760	0.000	1	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	S(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	S(C[6]C[6]2)	125.4360	0.000	1	125.4360	0.000	1	123.1937	1.559	23	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]C)(H)	S(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(H){1|C<3>,1|O<2>}	S(C[6]C[6]2)	124.7520	0.000	1	124.7520	0.000	1	123.1937	1.559	23	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	S(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	S(C[6]C[6]2)	123.5385	0.258	2	124.3883	0.801	6	123.1937	1.559	23	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	S(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	S(C[6]C[6]2)	124.8132	0.768	4	124.3883	0.801	6	123.1937	1.559	23	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	S(C[6]C[6]2)	C[6](C[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	S(C[6]C[6]2)	123.2470	0.000	1	122.5668	0.432	13	123.1937	1.559	23	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	S(C[6]C[6]2)	C[6](C[6]C[6]H)2(S){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6]C[6]2)	122.9630	0.525	4	122.5668	0.432	13	123.1937	1.559	23	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	S(C[6]C[6]2)	C[6](C[6]C[6]H)2(S){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	S(C[6]C[6]2)	122.2837	0.612	8	122.5668	0.432	13	123.1937	1.559	23	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H)	S(C[6]C[6]2)	C[6](C[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	S(C[6]C[6]2)	121.7070	0.000	1	121.7835	0.012	2	123.1937	1.559	23	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H)	S(C[6]C[6]2)	C[6](C[6]C[6]H)2(S){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	S(C[6]C[6]2)	121.8600	0.000	1	121.7835	0.012	2	123.1937	1.559	23	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:S-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(S)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H)	S(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(S){1|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	S(C[6]C[6]N[6])	125.0050	0.000	2	125.0050	0.000	2	125.0050	0.000	2	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	S(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	S(C[6]C[6]N[6])	121.9040	0.000	1	121.9040	0.000	1	124.8626	2.026	13	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	S(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])	124.6640	0.467	2	124.9853	0.803	6	124.8626	2.026	13	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	S(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])	125.4890	0.000	1	124.9853	0.803	6	124.8626	2.026	13	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	S(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])	125.0317	1.290	3	124.9853	0.803	6	124.8626	2.026	13	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]N[6]H)(C[6]N[6]S)(H)	S(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])	125.1430	0.000	1	124.7134	0.631	5	124.8626	2.026	13	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]N[6]H)(C[6]N[6]S)(H)	S(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])	124.6060	0.875	4	124.7134	0.631	5	124.8626	2.026	13	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	S(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6]C[6]N[6])	127.8310	0.000	1	127.8310	0.000	1	124.8626	2.026	13	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)(N[6]C[6]C)(O)	S(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	S(C[6]C[6]N[6])	118.7350	0.000	1	118.7350	0.000	1	118.7350	0.000	1	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:S-1:	C[6]-3:	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	S(C[6]C[6]N[6])	C[6](C[6]N[6]S)(N[6]C[6]C)(S){1|H<1>,3|C<4>}	C[6](C[6]N[6]S)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	S(C[6]C[6]N[6])	120.5182	0.846	4	119.9644	0.854	10	119.9644	0.854	10	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:S-1:	C[6]-3:	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	S(C[6]C[6]N[6])	C[6](C[6]N[6]S)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(S){1|H<1>,3|C<4>}	S(C[6]C[6]N[6])	119.8773	0.487	4	119.9644	0.854	10	119.9644	0.854	10	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:S-1:	C[6]-3:	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	S(C[6]C[6]N[6])	C[6](C[6]N[6]S)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	S(C[6]C[6]N[6])	119.0310	1.351	2	119.9644	0.854	10	119.9644	0.854	10	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	N[6,6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(S)	C[6](C[6]N[6,6]S)(C[6]C[6]H)(H)	S(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(S){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]S)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6]N[6,6]C[6])	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]S)(H)	S(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	S(C[6]C[6]N[6])	122.7775	0.252	2	122.7775	0.064	2	124.3837	12.579	12	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(H)	S(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	S(C[6]C[6]N[6])	122.3327	0.358	7	122.3327	0.128	7	124.3837	12.579	12	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	S(C[6]C[6]N[6])	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(S){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Si<5>,1|C<3>,1|H<1>}	S(C[6]C[6]N[6])	130.2400	0.152	3	130.2400	0.023	3	124.3837	12.579	12	123.2182	6.398	62	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]N[6]C)(OH)	S(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	S(C[6]C[6]2)	118.6670	0.000	1	118.6670	0.000	1	119.7950	2.401	9	120.8709	6.033	12	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]C)(OGa[5,5])	S(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OGa[5,5]){1|C<3>,1|H<1>}	S(C[6]C[6]2)	119.5660	0.000	1	119.5660	0.000	1	119.7950	2.401	9	120.8709	6.033	12	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]C)(OH)	S(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	S(C[6]C[6]2)	121.7710	0.290	2	120.8052	0.940	5	119.7950	2.401	9	120.8709	6.033	12	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]C)(OH)	S(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	S(C[6]C[6]2)	120.1613	0.532	3	120.8052	0.940	5	119.7950	2.401	9	120.8709	6.033	12	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(OH)	S(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(OH){1|H<1>,3|C<3>}	S(C[6]C[6]2)	118.9960	0.000	1	118.9960	0.000	1	119.7950	2.401	9	120.8709	6.033	12	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]S[6]C)(OH)	S(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6]O)(S){1|C<3>,1|N<3>,1|S<2>}	C[6](C[6]C[6]S)(C[6]S[6]C)(OH){1|C<3>,1|N<3>}	S(C[6]C[6]2)	116.9000	0.000	1	116.9000	0.000	1	119.7950	2.401	9	120.8709	6.033	12	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	C[6](C[6]C[6]N)(C[6]N[6]S)(CN)	S(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]S)(CN){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])	124.1120	2.342	2	124.1120	5.485	2	124.0987	2.743	3	120.8709	6.033	12	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	C[6](C[6]C[6a]C[6])(C[6]N[6]S)(CN)	S(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]S)(CN){1|H<1>,4|C<3>}	S(C[6]C[6]N[6])	124.0720	0.000	1	124.0720	0.000	1	124.0987	2.743	3	120.8709	6.033	12	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO)	S(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	S(C[6]C[6,6a]C[6])	124.5635	0.117	2	124.5635	0.014	2	124.5635	0.014	2	124.2423	5.595	9	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:S-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(S)	C[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]N)	S(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(S){1|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]N){3|H<1>,4|C<3>}	S(C[6]C[6,6a]C[6])	121.7240	0.263	2	121.7240	0.069	2	121.7240	0.069	2	124.2423	5.595	9	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H)	S(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6]O)(S){1|C<3>,1|N<3>,1|S<2>}	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H){1|C<3>,1|O<2>}	S(C[6]C[6]2)	121.6850	0.000	1	121.6850	0.000	1	121.6850	0.000	1	124.2423	5.595	9	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(CNO)	S(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CNO){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])	128.8500	0.000	1	128.8500	0.000	1	128.8500	0.000	1	124.2423	5.595	9	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]S)	S(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(S){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]S){2|C<3>,2|C<4>,3|H<1>}	S(C[6]C[6]N[6])	124.3280	0.000	1	124.3280	0.000	1	124.3280	0.000	1	124.2423	5.595	9	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(S)	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN)	S(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(S){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN){1|H<1>,2|C<3>}	S(C[6]C[6]N[6])	124.5180	0.000	1	124.5180	0.000	1	124.5180	0.000	1	124.2423	5.595	9	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:S-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6a]C[6])(S)	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]S)	S(C[6]C[6]N[6])	C[6](N[6]C[5,6]C[6a])(C[6]C[6a]C[6])(S){1|O<1>,2|N<3>,4|C<3>}	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]S){1|C<4>,2|H<1>,4|C<3>}	S(C[6]C[6]N[6])	126.2250	0.000	1	126.2250	0.000	1	126.2250	0.000	1	124.2423	5.595	9	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]N[6]B)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	S(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]N[6]B)(S){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	S(C[6]C[6]N[6])	120.5405	1.497	2	120.5405	2.241	2	120.5405	2.241	2	120.5405	2.241	2	122.9078	6.574	102	122.9078	6.574	102
762	762	977	0:SP2_SP-NON_SP2	C[6]	C[6]	S	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:S-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)2(S)	C[6](C[6]C[6]HH)(C[6]C[6]S)(CCS)	S(C[6]C[6]2)	C[6](C[6]C[6]C)2(S){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(CCS){1|C<3>,1|C<4>,2|H<1>}	S(C[6]C[6]2)	119.0150	0.211	3	119.0150	0.045	3	119.0150	0.045	3	119.0150	0.045	3	122.9078	6.574	102	122.9078	6.574	102
762	762	983	0:SP2_SP1_SP2	C[6,6]	C[6,6]	C	4:3:2:	3:4:3:	3:1:	C[5,3x6]-4:C[6,6]-3:C-2:	C[6,6]-3:C[3x6]-4:N-3:	C[6,6]-3:N-1:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[6,6]C[3x6]N)(CN)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH)	C(C[6,6]C[5,3x6]C[6,6])(N)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[6,6]C[3x6]N)(CN){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(C[6,6]C[5,3x6]C[6,6])(N)	124.3390	0.000	1	124.3390	0.000	1	124.3390	0.000	1	124.3390	0.000	1	124.1351	1.102	7	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6,6]	C[6,6]	C	4:3:2:	4:3:2:	3:1:	C[3x6]-4:C[6,6]-3:C-2:	C[3x6]-4:C[6,6]-3:C-2:	C[6,6]-3:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CN)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CN)	C(C[6,6]C[3x6]C[6,6])(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(N)	123.7750	0.574	2	123.7750	0.330	2	123.7750	0.330	2	123.7750	0.330	2	124.1351	1.102	7	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6,6]	C[6,6]	C	4:3:2:	4:3:2:	3:2:	C[3x6]-4:C[6,6]-3:C-2:	C[3x6]-4:C[6,6]-3:C-2:	C[6,6]-3:C-2:	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC)	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC)	C(C[6,6]C[3x6]C[6,6])(CC[6a])	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC){2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6])(CC[6a])	125.2550	1.407	2	125.2550	1.980	2	125.2550	1.980	2	125.2550	1.980	2	124.1351	1.102	7	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6,6]	C[6,6]	C	4:3:2:	4:3:3:	3:1:	C[3x6]-4:C[6,6]-3:C-2:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6]-3:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH)	C(C[6,6]C[3x6]C[6,6])(N)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH){1|N<2>,1|O<2>,4|C<4>}	C(C[6,6]C[3x6]C[6,6])(N)	123.2735	0.091	2	123.2735	0.008	2	123.2735	0.008	2	123.2735	0.008	2	124.1351	1.102	7	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:2:2:	3:3:2:	3:1:	C[6,6]-3:C[6]-2:C-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-3:N-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(CN)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(CN){3|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){2|C<2>}	C(C[6]C[6,6]C[6])(N)	112.9180	0.000	1	112.9180	0.000	1	112.9180	0.000	1	112.9180	0.000	1	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:2:2:	3:3:3:	3:1:	C[6,6]-3:N[6]-2:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6,6]N[6])(N)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CN){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C(C[6]C[6,6]N[6])(N)	118.7000	0.182	2	118.7000	0.033	2	118.9140	0.154	3	118.9140	0.154	3	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:2:2:	3:3:3:	3:1:	C[6,6]-3:N[6]-2:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CN)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6,6]N[6])(N)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CN){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C(C[6]C[6,6]N[6])(N)	119.3420	0.000	1	119.3420	0.000	1	118.9140	0.154	3	118.9140	0.154	3	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:2:	3:3:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-3:N-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Pd)(CN)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C(C[6]C[6,6]C[6])(NC[6]Pd)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Pd)(CN){3|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){1|Pd<4>,2|C<2>}	C(C[6]C[6,6]C[6])(NC[6]Pd)	130.3230	0.000	1	130.3230	0.000	1	130.3230	0.000	1	130.3230	0.000	1	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:3:	3:1:	C[5,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C(C[6]C[5,6]C[6,6])(N)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C(C[6]C[5,6]C[6,6])(N)	117.2007	0.360	4	117.2007	0.130	4	118.4044	1.378	10	118.5638	1.360	24	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:3:	3:1:	C[5,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C(C[6]C[5,6]C[6,6])(N)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|F<1>}	C(C[6]C[5,6]C[6,6])(N)	119.4370	0.058	2	119.2068	0.472	6	118.4044	1.378	10	118.5638	1.360	24	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:3:	3:1:	C[5,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C(C[6]C[5,6]C[6,6])(N)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	C(C[6]C[5,6]C[6,6])(N)	118.4430	0.256	2	119.2068	0.472	6	118.4044	1.378	10	118.5638	1.360	24	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:3:	3:1:	C[5,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C(C[6]C[5,6]C[6,6])(N)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	C(C[6]C[5,6]C[6,6])(N)	119.7405	0.668	2	119.2068	0.472	6	118.4044	1.378	10	118.5638	1.360	24	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:3:	3:1:	C[5a,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H)	C(C[6]C[5a,6]C[6,6])(N)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C(C[6]C[5a,6]C[6,6])(N)	118.3960	0.066	2	118.3960	0.004	2	118.3960	0.004	2	118.5638	1.360	24	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:3:	3:1:	C[6,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]N[6,6]C[6])2(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C(C[6]C[6,6]2)(N)	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>}	C(C[6]C[6,6]2)(N)	117.5000	0.120	2	117.9721	0.150	8	117.9721	0.150	8	118.5638	1.360	24	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:3:	3:1:	C[6,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]N[6,6]C[6])2(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C(C[6]C[6,6]2)(N)	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,2|F<1>,2|N<3>}	C(C[6]C[6,6]2)(N)	118.2290	0.000	1	117.9721	0.150	8	117.9721	0.150	8	118.5638	1.360	24	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:3:	3:1:	C[6,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]N[6,6]C[6])2(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C(C[6]C[6,6]2)(N)	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C(C[6]C[6,6]2)(N)	118.5020	0.000	1	117.9721	0.150	8	117.9721	0.150	8	118.5638	1.360	24	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:3:	3:1:	C[6,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]N[6,6]C[6])2(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C(C[6]C[6,6]2)(N)	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C(C[6]C[6,6]2)(N)	118.0115	0.283	4	117.9721	0.150	8	117.9721	0.150	8	118.5638	1.360	24	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)(CN){2|C<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6]C[6])(N)	119.9730	0.000	2	119.9730	0.000	2	120.5757	1.090	3	118.5638	1.360	24	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6,6]C[6])(N)	121.7810	0.000	1	121.7810	0.000	1	120.5757	1.090	3	118.5638	1.360	24	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6])(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6])(CN){1|C<2>,1|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C(C[6]C[6,6]C[6])(N)	119.1900	0.000	1	119.1900	0.000	1	119.1900	0.000	1	118.5638	1.360	24	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:4:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]N)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]N)(CN){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6]C[6])(N)	123.3649	1.134	7	123.3649	1.286	7	123.4787	1.254	9	123.4787	1.254	9	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	3:4:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]O)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]O)(CN){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6]C[6])(N)	123.8770	1.382	2	123.8770	1.909	2	123.4787	1.254	9	123.4787	1.254	9	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	4:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(N)	118.7910	0.000	1	118.7910	0.000	1	118.4126	1.537	5	118.4126	1.537	5	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	4:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(N)	120.0080	0.000	1	120.0080	0.000	1	118.4126	1.537	5	118.4126	1.537	5	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	4:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(N)	117.0890	0.000	1	117.0890	0.000	1	118.4126	1.537	5	118.4126	1.537	5	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	4:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,5|H<1>}	C(C[6]C[6,6]C[6])(N)	118.9530	0.000	1	118.0875	1.498	2	118.4126	1.537	5	118.4126	1.537	5	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	4:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(N)	117.2220	0.000	1	118.0875	1.498	2	118.4126	1.537	5	118.4126	1.537	5	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	4:3:3:	3:2:	C[6,6]-3:C[6]-3:C-2:	C[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(CC[5])	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|C<4>,4|C<3>}	C(C[6]C[6,6]C[6])(CC[5])	122.2165	0.070	2	122.2165	0.005	2	122.2165	0.005	2	119.8035	7.777	4	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:3:2:	4:3:3:	3:2:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(CSi)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(CSi)	117.3905	0.193	2	117.3905	0.037	2	117.3905	0.037	2	119.8035	7.777	4	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	3:4:2:	3:3:3:	3:1:	C[6,6]-3:C[6]-4:C-2:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:N-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6])(N)	119.5550	0.000	1	119.5550	0.000	1	119.5550	0.000	1	119.5550	0.000	1	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6,6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN)	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6,6]C[6])(N)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN){1|H<1>,6|C<3>}	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[6,6]C[6])(N)	121.6930	0.000	2	121.6930	0.000	2	121.6930	0.000	2	121.6930	0.000	2	119.8208	8.303	50	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:2:2:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:O-2:	C[6]-3:N-3:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6])(OPd)	C(C[6]C[6]2)(NPdC)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6])(OPd){1|C<2>}	C(C[6]C[6]2)(NPdC)	123.9617	0.621	4	123.9617	0.386	4	124.1128	0.404	5	124.1128	0.404	5	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:2:2:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:O-2:	C[6]-3:N-3:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6])(ORh)	C(C[6]C[6]2)(NC[6]Rh)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6])(ORh){1|C<2>}	C(C[6]C[6]2)(NC[6]Rh)	124.7170	0.000	1	124.7170	0.000	1	124.1128	0.404	5	124.1128	0.404	5	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:1:	3:1:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)	139.6500	0.000	1	139.6500	0.000	1	139.6500	0.000	1	127.9170	103.248	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:1:	3:1:	C[6]-3:N[6]-2:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]N[6]H)(N[6]C[6])(CN)	C[6](N[6]C[6]Ag)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N)	C[6](C[6]N[6]H)(N[6]C[6])(CN){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]N[6]C)(H){2|C<3>}	C(C[6]C[6]N[6])(N)	122.0505	0.035	2	122.0505	0.001	2	122.0505	0.001	2	127.9170	103.248	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:1:	3:2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]C[6])(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[5])	C[6](C[6]C[6]H)(C[6]C[6])(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C(C[6]C[6]2)(CC[5])	119.8730	0.000	1	119.8730	0.000	1	119.8730	0.000	1	121.0465	0.924	4	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:1:	3:2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NC)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>}	C(C[6]C[6]2)(NC)	121.0815	0.419	2	121.0815	0.176	2	121.0815	0.176	2	121.0465	0.924	4	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:1:	3:2:	C[6]-3:N[6]-2:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(N[6]C[6])(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a])	C[6](C[6]C[6]H)(N[6]C[6])(CC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<2>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a])	122.1500	0.000	1	122.1500	0.000	1	122.1500	0.000	1	121.0465	0.924	4	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:1:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6])(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6])(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>}	C(C[6]C[6]2)(CC[6a]H)	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:2:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(CC[6])	C[6](C[6]C[6]C)2(OC)	C(C[6]C[6]2)2	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]){1|P<4>,2|C<2>}	C[6](C[6]C[6]C)2(OC){1|C<3>}	C(C[6]C[6]2)2	120.9913	0.826	4	120.7913	0.973	8	120.7913	0.973	8	122.0249	4.837	13	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:2:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(CC[6])	C[6](C[6]C[6]C)2(OC)	C(C[6]C[6]2)2	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]){2|C<2>}	C[6](C[6]C[6]C)2(OC){1|C<2>}	C(C[6]C[6]2)2	120.5913	1.217	4	120.7913	0.973	8	120.7913	0.973	8	122.0249	4.837	13	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:2:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu)	C(C[6]C[6]2)(NCuC)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu){1|C<2>,1|H<1>}	C(C[6]C[6]2)(NCuC)	120.9530	0.000	1	120.9530	0.000	1	123.9988	4.893	5	122.0249	4.837	13	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:2:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)2(OSn)	C(C[6]C[6]2)(NC[6]Sn)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)2(OSn){1|C<3>}	C(C[6]C[6]2)(NC[6]Sn)	124.7602	1.631	4	124.7602	2.659	4	123.9988	4.893	5	122.0249	4.837	13	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:3:	3:1:	C[6]-3:N[6]-2:C-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6]N)(N[6]C[6])(CN)	C[6](C[6]N[6]C)(C[6]N[6]N)(NHH)	C(C[6]C[6]N[6])(N)	C[6](C[6]C[6]N)(N[6]C[6])(CN){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]N)(NHH){1|C<3>,1|O<2>}	C(C[6]C[6]N[6])(N)	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:3:	3:2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6])(CC)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH)	C(C[6]C[6]2)(CC[6])	C[6](C[6]C[6]C)(C[6]C[6])(CC){1|C<2>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH){1|C<3>}	C(C[6]C[6]2)(CC[6])	127.0870	0.000	1	127.0870	0.000	1	127.0870	0.000	1	127.0870	0.000	1	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:3:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:O-3:	C[6]-3:N-3:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)2(ONi2)	C(C[6]C[6]2)(NNiC)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|Br<1>,2|C<2>}	C[6](C[6]C[6]C)2(ONi2){1|C<3>}	C(C[6]C[6]2)(NNiC)	125.0763	0.500	3	125.0763	0.250	3	125.0763	0.250	3	125.0763	0.250	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:2:	3:3:3:	3:4:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:O-3:	C[6]-3:N-4:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)2(ONi2)	C(C[6]C[6]2)(NNiCC)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|Br<1>,2|C<2>}	C[6](C[6]C[6]C)2(ONi2){1|C<3>}	C(C[6]C[6]2)(NNiCC)	121.5223	1.008	3	121.5223	1.017	3	121.5223	1.017	3	121.5223	1.017	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	2:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-2:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(CN)	C[6](N[6]C[6,6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(CN){2|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(N)	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	118.3010	8.644	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	2:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	O[6]-2:C[6]-3:N-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(N)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(N){1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	116.2220	0.000	1	116.2220	0.000	1	116.2220	0.000	1	118.3010	8.644	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	2:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	S[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]N[6]O)(C[6]S[6]N)(CN)	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H)	C(C[6]C[6]2)(N)	C[6](C[6]N[6]O)(C[6]S[6]N)(CN){1|C<4>,1|H<1>}	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H){1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(N)	118.3870	0.000	1	118.3870	0.000	1	118.3870	0.000	1	118.3870	0.000	1	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:2:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Co<6>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	121.7730	0.000	1	121.7730	0.000	1	121.1463	0.670	4	120.5556	2.246	5	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:2:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(CC)	C[6](C[6]C[6]H)2(CC){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC)	120.2470	0.000	1	120.2470	0.000	1	121.1463	0.670	4	120.5556	2.246	5	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:2:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6])(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	120.6620	0.000	1	120.6620	0.000	1	121.1463	0.670	4	120.5556	2.246	5	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:2:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6])(H)	C(C[6]C[6]2)(CFe)	C[6](C[6]C[6]H)2(CC){1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CFe)	121.9030	0.000	1	121.9030	0.000	1	121.1463	0.670	4	120.5556	2.246	5	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:2:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:O[6]-2:O-1:	C[6]-3:C-2:	C[6](C[6]O[6]C)(C[6]O[6]O)(CC)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]O[6]C)(C[6]O[6]O)(CC){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<2>,3|C<4>}	C(C[6]C[6]2)(CC[6a])	118.1930	0.000	1	118.1930	0.000	1	118.1930	0.000	1	120.5556	2.246	5	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:2:1:	3:3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-2:C-1:	C[6]-3:C-3:	C[6](C[6]C[6]Pd)(C[6]C[6]C)(CC)	C[6](C[6]C[6]C)(C[6]C[6])(C)	C(C[6]C[6]2)(CNO)	C[6](C[6]C[6]Pd)(C[6]C[6]C)(CC){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6])(C){1|Pd<4>,1|C<2>}	C(C[6]C[6]2)(CNO)	119.5480	0.000	1	119.5480	0.000	1	119.5480	0.000	1	122.9700	9.510	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:2:1:	3:3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:N-3:	C[6](C[6]C[6]Cl)(C[6]C[6]Fe)(CN)	C[6](C[6]C[6]C)(C[6]C[6])(Cl)	C(C[6]C[6]2)(NFeC)	C[6](C[6]C[6]Cl)(C[6]C[6]Fe)(CN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6])(Cl){1|Fe<6>,1|C<2>}	C(C[6]C[6]2)(NFeC)	123.8280	0.000	1	123.8280	0.000	1	123.8280	0.000	1	122.9700	9.510	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:2:1:	3:3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:N-3:	C[6](C[6]C[6]Te)(C[6]C[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(NTeC)	C[6](C[6]C[6]Te)(C[6]C[6]H)(CN){1|C<2>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Te<5>,1|C<3>}	C(C[6]C[6]2)(NTeC)	125.5340	0.000	1	125.5340	0.000	1	125.5340	0.000	1	122.9700	9.510	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:2:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:S[6]-2:N-3:	C[6]-3:N-1:	C[6](C[6]N[6]O)(C[6]S[6]N)(CN)	C[6](C[6]C[6]C)(S[6]C[6])(NCH)	C(C[6]C[6]2)(N)	C[6](C[6]N[6]O)(C[6]S[6]N)(CN){1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(S[6]C[6])(NCH){1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(N)	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:2:4:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-2:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CC)	C[6](C[6]C[6]C)(N[6]Si[6])(CC3)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CC){1|Si<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(N[6]Si[6])(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CC[6a])	119.2000	0.000	1	119.2000	0.000	1	119.2000	0.000	1	120.7340	4.706	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:2:4:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-2:	C[6](C[6]O[6]C)(C[6]O[6]O)(CC)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]O[6]C)(C[6]O[6]O)(CC){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CC[6a])	122.2680	0.000	1	122.2680	0.000	1	122.2680	0.000	1	120.7340	4.706	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN){1|C<4>,1|N<2>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H){1|C<2>,2|C<4>,3|C<3>}	C(C[6]C[6]2)(N)	120.7270	0.000	1	120.4000	0.214	2	120.4000	0.214	2	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN){1|C<4>,2|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H){1|C<2>,2|C<4>,3|C<3>}	C(C[6]C[6]2)(N)	120.0730	0.000	1	120.4000	0.214	2	120.4000	0.214	2	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	C(C[6]C[6]2)(N)	118.1020	0.000	1	118.1020	0.000	1	117.8465	0.131	2	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	C(C[6]C[6]2)(N)	117.5910	0.000	1	117.5910	0.000	1	117.8465	0.131	2	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(N)	122.6150	0.000	1	122.6150	0.000	1	122.6150	0.000	1	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C)(C[6]C[6,6a]O)(CN)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]C)(C[6]C[6,6a]O)(CN){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	117.3170	0.000	1	117.3170	0.000	1	117.9838	0.220	4	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CN){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	118.2075	0.261	2	118.2075	0.068	2	117.9838	0.220	4	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(CN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C(C[6]C[6]2)(N)	118.2030	0.000	1	118.2030	0.000	1	117.9838	0.220	4	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:F-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]F)(CN)	C[6](C[6]C[6]C)2(F)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]F)(CN){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(F){1|C<3>,2|C<2>}	C(C[6]C[6]2)(N)	120.1630	0.000	1	120.1630	0.000	1	120.1630	0.000	1	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)	117.4170	0.000	1	117.4170	0.000	1	117.4170	0.000	1	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N)	121.3200	0.816	6	120.9638	0.744	33	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C(C[6]C[6]2)(N)	120.6580	0.041	2	120.9638	0.744	33	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N)	121.0755	0.521	2	120.9638	0.744	33	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N)	120.9300	0.000	1	120.9638	0.744	33	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(N)	121.7860	0.000	1	120.9638	0.744	33	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(N)	119.4270	0.000	1	120.9638	0.744	33	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N)	120.9438	0.546	5	120.9638	0.744	33	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N)	121.0920	1.295	6	120.9638	0.744	33	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N)	121.2950	1.302	2	120.9638	0.744	33	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(N)	120.8160	0.263	2	120.9638	0.744	33	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(N)	120.5568	0.958	5	120.9638	0.744	33	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]N)(CN){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|N<3>}	C(C[6]C[6]2)(N)	122.4880	0.000	1	122.4880	0.000	1	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(N)	116.4600	0.000	1	116.4600	0.000	1	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(N)	119.0460	0.000	1	119.0460	0.000	1	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(N)	120.2980	1.240	2	120.2980	1.538	2	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(N)	119.0920	0.000	1	119.0920	0.000	1	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.2700	0.000	1	120.2700	0.000	1	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.3650	1.141	2	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	122.5710	0.000	1	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	119.4790	0.620	5	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	121.3940	0.000	1	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	119.2580	0.000	1	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.2505	0.190	2	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(N)	120.2591	2.494	61	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(N)	120.6375	0.098	2	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	119.6244	0.958	20	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.2413	0.520	4	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.3950	0.980	8	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.4090	0.791	2	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.3371	0.756	10	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.2175	0.050	2	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	119.8745	0.957	4	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.3479	0.914	12	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.3982	1.296	6	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.1387	0.816	10	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.3395	0.240	2	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.3640	0.464	10	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.2285	0.477	4	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.3365	0.276	2	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.8255	1.317	2	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.8713	0.896	4	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.1530	0.010	2	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	120.2893	1.811	3	120.2189	2.591	182	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(N)	119.9585	3.074	2	120.4597	1.731	8	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(N)	120.5494	0.674	5	120.4597	1.731	8	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(N)	121.0140	0.000	1	120.4597	1.731	8	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)2(CN){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(N)	119.0023	0.718	4	119.0023	0.515	4	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CN)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CN){1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(N)	122.2640	0.000	1	122.2640	0.000	1	120.3044	2.381	235	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C(C[6]C[6]2)(N)	114.9140	0.242	2	114.9140	0.058	2	116.3862	0.917	53	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<2>,1|C<3>}	C(C[6]C[6]2)(N)	116.2292	0.905	12	116.2292	0.818	12	116.3862	0.917	53	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<2>,2|C<3>}	C(C[6]C[6]2)(N)	117.0340	0.000	1	117.0340	0.000	1	116.3862	0.917	53	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|N<3>}	C(C[6]C[6]2)(N)	116.3390	0.000	1	116.3390	0.000	1	116.3862	0.917	53	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|F<1>}	C[6](C[6]C[6]C)2(O){1|C<2>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(N)	115.3750	2.915	2	115.3750	8.495	2	116.3862	0.917	53	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<2>,1|C<3>}	C(C[6]C[6]2)(N)	116.4114	0.658	26	116.3852	0.493	29	116.3862	0.917	53	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<2>,1|C<3>}	C(C[6]C[6]2)(N)	116.1577	1.182	3	116.3852	0.493	29	116.3862	0.917	53	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	C(C[6]C[6]2)(N)	117.8420	0.000	1	117.8420	0.000	1	116.3862	0.917	53	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	116.4750	0.000	1	116.4750	0.000	1	116.3862	0.917	53	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]O)2(CN){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(N)	117.9600	0.813	2	117.5817	0.760	3	116.3862	0.917	53	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]O)2(CN){1|C<3>,2|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|O<2>}	C(C[6]C[6]2)(N)	116.8250	0.000	1	117.5817	0.760	3	116.3862	0.917	53	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]O)2(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<3>,1|O<2>}	C(C[6]C[6]2)(N)	117.5370	0.000	1	117.5370	0.000	1	116.3862	0.917	53	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	118.6653	0.461	6	118.6653	0.212	6	119.1094	0.829	8	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(N)	120.4415	0.110	2	120.4415	0.012	2	119.1094	0.829	8	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]2)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]2)(C[6]N[6]O)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6]C[6]2)(N)	115.6202	1.179	6	115.6202	1.390	6	115.5733	0.826	23	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(N)	115.1012	0.499	10	115.2203	0.288	12	115.5733	0.826	23	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(N)	115.8160	0.267	2	115.2203	0.288	12	115.5733	0.826	23	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(N)	116.2170	0.000	1	116.1827	0.238	3	115.5733	0.826	23	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,3|C<4>}	C(C[6]C[6]2)(N)	116.6520	0.000	1	116.1827	0.238	3	115.5733	0.826	23	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(N)	115.6790	0.000	1	116.1827	0.238	3	115.5733	0.826	23	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(N)	C[6](C[6]N[6]C)(C[6]N[6]O)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(N)	117.7990	0.000	1	117.7990	0.000	1	115.5733	0.826	23	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]N[6]O)(C[6]S[6]N)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(N)	C[6](C[6]N[6]O)(C[6]S[6]N)(CN){1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|S<2>,2|C<4>}	C(C[6]C[6]2)(N)	115.4730	0.000	1	115.4730	0.000	1	115.5733	0.826	23	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:S-1:	C[6]-3:N-1:	C[6](C[6]C[6]N)(C[6]N[6]S)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]N)(C[6]N[6]S)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<3>,2|N<3>}	C(C[6]C[6]2)(N)	120.0510	1.240	2	120.0510	1.538	2	119.0587	3.723	3	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:S-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]S)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6]S)(CN){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,2|C<3>}	C(C[6]C[6]2)(N)	117.0740	0.000	1	117.0740	0.000	1	119.0587	3.723	3	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CN)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CN){1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2)(N)	119.2860	0.000	1	119.2860	0.000	1	119.2860	0.000	1	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	119.4825	0.250	2	119.5753	0.057	3	119.6323	0.807	26	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	119.7610	0.000	1	119.5753	0.057	3	119.6323	0.807	26	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(N)	119.2495	0.281	2	119.2495	0.079	2	119.6323	0.807	26	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	119.9932	0.493	5	120.1983	0.447	6	119.6323	0.807	26	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	121.2240	0.000	1	120.1983	0.447	6	119.6323	0.807	26	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	119.0062	1.091	6	119.0062	1.190	6	119.6323	0.807	26	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	119.1305	0.920	2	119.7763	0.878	9	119.6323	0.807	26	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	119.6690	0.144	2	119.7763	0.878	9	119.6323	0.807	26	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	120.0776	1.101	5	119.7763	0.878	9	119.6323	0.807	26	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]N[6]O)(C[6]S[6]N)(CN)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]N[6]O)(C[6]S[6]N)(CN){1|C<4>,1|H<1>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(O){1|N<3>,1|S<2>,2|C<4>}	C(C[6]C[6]2)(N)	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N)	C[6](C[6]C[6]H)(N[6]C[6]C)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N)	121.4070	0.423	6	121.4070	0.179	6	121.4070	0.179	6	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CN){1|C<3>,3|B<6>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N)	119.4780	0.018	2	119.4780	0.000	2	119.4086	2.629	9	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C(C[6]C[6]N[6])(N)	120.2300	0.000	1	120.2300	0.000	1	119.4086	2.629	9	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N)	121.3900	0.950	2	121.3900	0.903	2	119.4086	2.629	9	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<5>,2|C<3>}	C(C[6]C[6]N[6])(N)	116.2230	0.000	1	116.2230	0.000	1	119.4086	2.629	9	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N)	118.3400	0.000	1	118.3400	0.000	1	119.4086	2.629	9	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N)	119.0740	0.279	2	119.0740	0.078	2	119.4086	2.629	9	119.3250	4.673	376	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C(C[6]C[6,6a]C[6])(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Ag<4>,2|C<3>}	C(C[6]C[6,6a]C[6])(CC[6a])	120.9660	0.219	2	120.9660	0.048	2	120.9660	0.048	2	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	121.3147	0.502	3	122.1901	1.175	7	122.0346	1.200	8	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	122.9830	1.557	2	122.1901	1.175	7	122.0346	1.200	8	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	122.7105	0.146	2	122.1901	1.175	7	122.0346	1.200	8	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CPt)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(CC){1|Cu<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(CPt)	120.9460	0.000	1	120.9460	0.000	1	122.0346	1.200	8	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:F-1:	C[6]-3:C-2:	C[6](C[6]C[6]F)2(CC)	C[6](C[6]C[6]C)(C[6]C[6]F)(F)	C(C[6]C[6]2)(CAu)	C[6](C[6]C[6]F)2(CC){1|C<2>,2|F<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(F){1|C<3>,1|F<1>}	C(C[6]C[6]2)(CAu)	122.8435	0.552	2	122.8435	0.305	2	122.8435	0.305	2	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]C[6]I)(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]C[6]I)(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|I<1>}	C(C[6]C[6]2)(CC[6a])	120.5274	0.961	11	120.5274	0.923	11	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]C)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CSi)	C[6](C[6]C[6]H)(C[6]N[6]C)(CC){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CSi)	119.7800	0.567	2	119.7800	0.322	2	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC)	122.7125	0.664	2	122.7125	0.441	2	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[5])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[5])	121.2010	0.000	1	122.0992	1.665	6	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[5])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[5])	123.1883	0.617	3	122.0992	1.665	6	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[5])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[5])	121.3570	0.000	1	122.0992	1.665	6	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[5])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[5])	120.4720	0.000	1	122.0992	1.665	6	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6])	120.9380	0.936	2	120.9380	0.876	2	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ag<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	121.8175	1.268	4	121.9210	2.559	33	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[6a])	119.5420	0.000	1	121.9210	2.559	33	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Cd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	123.1250	0.000	1	121.9210	2.559	33	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	123.3000	0.000	1	121.9210	2.559	33	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	123.1690	0.355	2	121.9210	2.559	33	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[6a])	123.6370	0.000	1	121.9210	2.559	33	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	122.0506	1.789	11	121.9210	2.559	33	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	121.5891	1.584	7	121.9210	2.559	33	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[6a])	119.8180	0.037	2	121.9210	2.559	33	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[6a])	122.4935	2.075	2	121.9210	2.559	33	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[6a])	121.8780	0.000	1	121.9210	2.559	33	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH)	122.2770	0.000	1	122.2195	3.371	4	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH)	124.7840	0.000	1	122.2195	3.371	4	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH)	121.1270	0.000	1	122.2195	3.371	4	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH)	120.6900	0.000	1	122.2195	3.371	4	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CPt)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CPt)	121.7120	0.000	1	121.7120	0.000	1	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CRu)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CRu)	121.6980	0.000	1	121.6980	0.000	1	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CSi)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CSi)	121.9181	1.401	40	121.9973	2.060	44	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CSi)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CSi)	122.7893	1.755	4	121.9973	2.060	44	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Co<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	119.9080	0.000	1	119.9463	2.494	6	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	119.9540	1.766	5	119.9463	2.494	6	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC)	126.4123	3.674	4	126.4123	13.496	4	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	120.0897	1.061	8	121.1059	3.654	13	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	122.1497	1.604	4	121.1059	3.654	13	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	125.0600	0.000	1	121.1059	3.654	13	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC)	C[6](C[6]C[6]H)2(CC){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC)	120.7890	0.000	1	120.7890	0.000	1	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CPt)	C[6](C[6]C[6]H)2(CC){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2)(CPt)	121.6860	0.000	1	121.6860	0.000	1	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(CGa)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ga<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CGa)	121.4555	1.435	2	121.4555	2.058	2	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC)	121.0400	0.597	2	121.1380	0.770	4	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC)	121.2360	1.385	2	121.1380	0.770	4	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[3x6])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[3x6])	120.7820	0.023	2	120.7820	0.001	2	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[5])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[5])	120.9635	0.404	2	120.9635	0.163	2	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[5a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[5a])	120.5345	0.624	2	121.0673	0.591	4	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[5a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C(C[6]C[6]2)(CC[5a])	121.6000	0.499	2	121.0673	0.591	4	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6])	120.6530	1.339	2	120.9445	0.496	6	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6])	121.1100	0.317	2	120.9445	0.496	6	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|V<11>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6])	121.0705	0.572	2	120.9445	0.496	6	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a])	122.0660	0.000	1	121.0098	8.331	62	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	121.1870	0.000	1	121.0098	8.331	62	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6a])	120.5302	1.728	4	121.0098	8.331	62	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CC[6a])	121.2925	3.101	2	121.0098	8.331	62	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C(C[6]C[6]2)(CC[6a])	121.5340	0.391	4	121.0098	8.331	62	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	120.8102	0.851	8	121.0098	8.331	62	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a])	121.4604	1.066	8	121.0098	8.331	62	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a])	121.8740	19.068	2	121.0098	8.331	62	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a])	120.1884	1.588	12	121.0098	8.331	62	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a])	121.6301	1.282	8	121.0098	8.331	62	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a])	120.9416	2.242	12	121.0098	8.331	62	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CFe)	C[6](C[6]C[6]H)2(CC){1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,1|H<1>}	C(C[6]C[6]2)(CFe)	122.3980	0.000	1	122.3980	0.000	1	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CPt)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CPt)	121.5925	1.059	4	121.4975	0.635	8	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CPt)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CPt)	121.4150	0.358	2	121.4975	0.635	8	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CPt)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CPt)	121.3900	0.936	2	121.4975	0.635	8	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CRu)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CRu)	122.0383	1.240	6	122.0383	1.538	6	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CC[6a])	120.1265	0.489	4	120.2466	0.694	10	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CC[6a])	120.3267	1.042	6	120.2466	0.694	10	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(CC[6a])	119.4030	0.000	1	119.4030	0.000	1	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC)	C[6](C[6]C[6]H)2(CC){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CC)	119.7735	0.443	2	119.7735	0.197	2	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH)	C[6](C[6]C[6]H)2(CC){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH)	119.4671	0.896	9	119.4671	0.804	9	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CPt)	C[6](C[6]C[6]H)2(CC){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CPt)	120.3075	1.333	2	120.3075	1.777	2	121.3426	4.290	252	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NN)	120.6355	2.285	2	120.6355	5.220	2	120.6355	5.220	2	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CO){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)	122.3380	0.000	1	122.3380	0.000	1	122.3380	0.000	1	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:I-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]C[6]I)(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(I)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]C[6]I)(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6a])	121.4143	0.759	11	121.4143	0.576	11	121.4143	0.576	11	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(CC[5])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[5])	120.1070	0.000	1	120.1070	0.000	1	120.8852	1.579	14	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	120.7477	1.007	8	120.7477	1.015	8	120.8852	1.579	14	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(CPt)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CPt)	120.3210	0.000	1	120.3210	0.000	1	120.8852	1.579	14	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a])	120.8620	0.000	1	120.8620	0.000	1	120.8852	1.579	14	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]N[6]H)(C[6]N[6]O)(CC)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]N[6]H)(C[6]N[6]O)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(CC[6a])	121.7070	2.272	3	121.7070	5.162	3	120.8852	1.579	14	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-2:	C[6](C[6]N[6]H)(C[6]N[6]O)(CC)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]N[6]H)(C[6]N[6]O)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	118.1460	2.321	3	118.1460	5.386	3	118.1460	5.386	3	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a])	120.1430	0.555	3	120.1430	0.308	3	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC){1|Ir<6>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a])	118.7020	0.119	2	118.7020	0.014	2	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC){1|Ru<6>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a])	118.0700	0.434	2	118.0700	0.188	2	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Ag)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	120.2267	1.375	4	120.2267	1.891	4	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	119.4320	0.000	1	119.4320	0.000	1	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	119.9740	0.000	1	119.6467	3.174	3	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Co<6>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	121.2420	0.000	1	119.6467	3.174	3	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Co<6>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	117.7240	0.000	1	119.6467	3.174	3	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[5])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[5])	119.8330	0.955	3	119.8330	0.912	3	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	119.1695	0.183	2	119.1695	0.034	2	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a])	119.0510	0.000	1	119.0510	0.000	1	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC)	120.9575	3.313	4	120.4827	7.205	6	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC)	119.5330	0.622	2	120.4827	7.205	6	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6])	120.0815	1.237	2	120.0815	1.530	2	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	118.5670	1.356	4	119.8906	3.481	21	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	116.8960	0.000	1	119.8906	3.481	21	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	120.3243	1.886	11	119.8906	3.481	21	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	120.5944	1.415	5	119.8906	3.481	21	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH)	119.6280	0.000	1	119.6280	0.000	1	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CRu)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CRu)	122.0400	0.000	1	122.0400	0.000	1	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[5])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[5])	120.0720	0.000	1	120.0720	0.000	1	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	120.7289	1.535	7	120.7289	2.355	7	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH)	117.4970	0.000	1	117.4970	0.000	1	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CSi)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CSi)	119.8326	1.747	40	119.8326	3.050	40	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a])	122.6735	0.653	2	122.6735	0.426	2	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH)	121.2510	0.000	1	121.1020	0.044	2	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH)	120.9530	0.000	1	121.1020	0.044	2	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CSi)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CSi)	119.2772	1.474	4	119.2772	2.174	4	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[5])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[5])	121.4490	0.000	1	121.4490	0.000	1	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a])	119.8540	1.532	2	119.9697	1.213	3	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a])	120.2010	0.000	1	119.9697	1.213	3	119.9519	2.824	113	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CO){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)	118.5800	0.000	1	118.5800	0.000	1	118.5800	0.000	1	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a])	C[6](C[6]C[6]H)(N[6]C[6]C)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a])	122.3460	0.000	1	122.3460	0.000	1	123.2290	0.312	8	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCr)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CCr)	122.6250	0.000	1	122.6250	0.000	1	123.2290	0.312	8	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a])	C[6](C[6]C[6]H)(N[6]C[6]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a])	123.5680	0.432	4	123.4768	0.133	6	123.2290	0.312	8	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a])	C[6](C[6]C[6]H)(N[6]C[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a])	123.2945	0.090	2	123.4768	0.133	6	123.2290	0.312	8	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CC){1|C<3>,3|B<6>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH)	119.7090	0.291	2	119.7090	0.085	2	120.6629	2.092	36	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCr)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(CCr)	121.7890	0.000	1	121.7890	0.000	1	120.6629	2.092	36	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]Au)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a])	C[6](N[6]C[6]Au)(C[6]C[6]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Au<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a])	121.6183	0.410	4	121.6183	0.168	4	120.6629	2.092	36	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6])	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6])	119.2637	1.293	3	119.2637	1.672	3	120.6629	2.092	36	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a])	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a])	120.8085	2.140	2	120.8085	4.581	2	120.6629	2.092	36	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6])	119.5370	0.578	2	119.5370	0.335	2	120.6629	2.092	36	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a])	120.8047	0.790	8	121.0769	0.614	13	120.6629	2.092	36	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a])	121.5124	0.605	5	121.0769	0.614	13	120.6629	2.092	36	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a])	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a])	120.6157	1.957	6	120.6157	3.828	6	120.6629	2.092	36	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CAu)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CAu)	118.8960	0.000	1	118.8960	0.000	1	120.6629	2.092	36	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6])	117.6170	0.000	1	117.6170	0.000	1	120.6629	2.092	36	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zr<13>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC)	123.4970	0.000	1	123.4970	0.000	1	120.6629	2.092	36	120.9516	3.907	453	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[5,6]-3:C[6]-3:C-2:	C[5,6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(CN)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(CN)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(CN){1|S<4>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(CN){1|S<4>,2|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	116.9120	0.465	2	116.9120	0.216	2	116.9120	0.216	2	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(CN)	C[6](C[6]C[6,6a]C)(C[6]C[6,6a]O)(CN)	C(C[6]C[6,6a]C[6])(N)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(CN){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6,6a]O)(CN){3|C<3>}	C(C[6]C[6,6a]C[6])(N)	118.8540	0.000	1	118.8540	0.000	1	118.8540	0.000	1	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:N-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(OH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(OH){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(N)	119.1030	0.055	2	119.1030	0.003	2	119.1030	0.003	2	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C)(C[6]C[6,6a]O)(CN)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]C)(C[6]C[6,6a]O)(CN){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(CN){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(N)	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN)	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN){1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	118.0110	0.000	1	118.5560	0.594	2	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN)	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN){1|C<4>,2|N<3>}	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN){1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	119.1010	0.000	1	118.5560	0.594	2	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(N)	119.5690	0.146	2	119.3865	0.058	4	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(N)	119.2040	0.140	2	119.3865	0.058	4	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CN)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CN){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CN){1|O<1>,2|C<3>}	C(C[6]C[6]2)(N)	119.4365	0.606	2	119.4365	0.367	2	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]F)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]F)(CN){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|F<1>}	C(C[6]C[6]2)(N)	120.2410	0.000	1	120.2410	0.000	1	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]F)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|F<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(CN){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(N)	120.4530	0.000	1	120.4530	0.000	1	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Br<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(N)	122.3523	0.683	12	121.6903	0.747	48	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|O<1>,2|C<3>}	C(C[6]C[6]2)(N)	122.6750	0.000	1	121.6903	0.747	48	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(N)	120.5250	0.000	1	121.6903	0.747	48	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(N)	120.5930	0.000	1	121.6903	0.747	48	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(N)	121.3154	0.694	26	121.6903	0.747	48	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	C(C[6]C[6]2)(N)	122.2120	1.194	3	121.6903	0.747	48	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(N)	121.9103	0.692	3	121.6903	0.747	48	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(N)	122.5450	0.000	1	121.6903	0.747	48	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN){1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(N)	121.1930	0.000	1	120.6690	0.549	2	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N-1:	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN)	C(C[6]C[6]2)(N)	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN){1|C<4>,2|N<3>}	C(C[6]C[6]2)(N)	120.1450	0.000	1	120.6690	0.549	2	121.2783	1.413	60	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH){1|Cl<1>,1|C<2>,1|C<3>}	C(C[6]C[6]2)(N)	118.2650	0.000	1	118.2650	0.000	1	117.8996	8.796	5	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OLi)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OLi){1|Cl<1>,1|C<2>,1|C<3>}	C(C[6]C[6]2)(N)	114.9375	0.064	2	114.9375	0.004	2	117.8996	8.796	5	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-1:	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]O)2(CN){1|C<3>,2|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<2>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(N)	121.6910	0.000	1	120.6790	2.048	2	117.8996	8.796	5	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-1:	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]O)2(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|Cl<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(N)	119.6670	0.000	1	120.6790	2.048	2	117.8996	8.796	5	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:N-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(N)	116.4830	0.000	1	116.4830	0.000	1	115.7052	0.209	6	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:N-2:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){1|C<4>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	115.7080	0.000	1	115.5496	0.080	5	115.7052	0.209	6	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:N-2:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<4>,2|C<3>}	C(C[6]C[6]2)(N)	115.5100	0.311	4	115.5496	0.080	5	115.7052	0.209	6	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	N[5,6]-3:C[6]-3:N-2:	C[6]-3:N-1:	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NH)	C(C[6]C[6]2)(N)	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NH){1|C<2>,1|C<4>,3|C<3>}	C(C[6]C[6]2)(N)	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	N[6,6]-3:C[6]-3:N-2:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a])(C[6]N[6,6]N)(CN)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]C[6a])(C[6]N[6,6]N)(CN){5|C<3>}	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH){5|C<3>}	C(C[6]C[6]2)(N)	113.7043	0.073	3	113.7043	0.005	3	113.9475	0.240	4	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	N[6,6]-3:C[6]-3:N-2:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6,6]N)(CN)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6,6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	114.6770	0.000	1	114.6770	0.000	1	113.9475	0.240	4	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:N-2:	C[6]-3:N-1:	C[6](C[6]C[5,6]C)(C[6]N[6]N)(CN)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]C)(C[6]N[6]N)(CN){2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH){1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(N)	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	120.0101	6.773	83	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:2:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:C-2:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC)	C(C[6]C[6,6]C[6])(CC[5])	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6])(CC[5])	117.1500	0.040	2	117.1500	0.002	2	117.1500	0.002	2	119.1563	3.202	6	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:C-2:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]C)(CC)	C[6](C[6]C[6]C)(N[6]C[6]B)(CC)	C(C[6]C[6]2)(CSi)	C[6](C[6]C[6]H)(C[6]N[6]C)(CC){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]B)(CC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CSi)	121.0875	0.558	2	121.0875	0.311	2	121.0875	0.311	2	119.1563	3.202	6	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:2:	3:2:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C-2:	C[6](C[6]C[6]C)(N[6]C[6]B)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(CC)	C(C[6]C[6]N[6])(CSi)	C[6](C[6]C[6]C)(N[6]C[6]B)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CC){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CSi)	119.2315	0.418	2	119.2315	0.175	2	119.2315	0.175	2	119.1563	3.202	6	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6])(CN)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6])(CN){1|C<2>,1|C<4>,5|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6]C[6])(N)	119.5640	0.000	1	119.5640	0.000	1	119.5640	0.000	1	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(CN)	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH){4|C<3>}	C(C[6]C[6,6]C[6])(N)	116.8460	0.000	1	116.8460	0.000	1	116.8460	0.000	1	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a])(C[6]N[6,6]N)(CN)	C[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]C[6a])(C[6]N[6,6]N)(CN){5|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C(C[6]C[6]2)(N)	120.6073	0.141	3	120.6073	0.020	3	120.6073	0.020	3	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,2|C<2>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(N)	119.5530	0.000	1	119.5530	0.000	1	119.4080	0.042	2	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH){1|C<4>,2|N<3>}	C(C[6]C[6]2)(N)	119.2630	0.000	1	119.2630	0.000	1	119.4080	0.042	2	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6]2)(C[6]N[6]O)(CN)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C(C[6]C[6]2)(N)	C[6](C[6]C[6]2)(C[6]N[6]O)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C(C[6]C[6]2)(N)	122.7615	1.048	6	122.7615	1.098	6	122.7615	1.098	6	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6]N)(C[6]N[6]S)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]N)(C[6]N[6]S)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|S<1>,2|N<3>}	C(C[6]C[6]2)(N)	119.0420	0.395	2	119.0420	0.156	2	119.0420	0.156	2	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[5,6]N)(CN)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[5,6]N)(CN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C(C[6]C[6]2)(N)	122.5530	0.000	1	122.5530	0.000	1	121.4340	1.761	3	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6,6]N)(CN)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6,6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	121.7810	0.000	1	121.7810	0.000	1	121.4340	1.761	3	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	119.9680	0.000	1	119.9680	0.000	1	121.4340	1.761	3	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:C-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CN){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC){2|C<3>,2|C<4>}	C(C[6]C[6]2)(N)	117.8190	0.038	2	117.8190	0.001	2	117.8190	0.001	2	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|C<4>,2|C<3>}	C(C[6]C[6]2)(N)	118.4100	0.000	1	118.4100	0.000	1	117.8430	0.528	3	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH){3|C<3>}	C(C[6]C[6]2)(N)	117.5595	0.757	2	117.5595	0.574	2	117.8430	0.528	3	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]N)(CN){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(N)	121.6310	0.000	1	121.6310	0.000	1	121.3599	0.830	10	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(CN){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	120.5470	0.000	1	120.5470	0.000	1	121.3599	0.830	10	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C(C[6]C[6]2)(N)	120.2360	0.000	1	120.2360	0.000	1	121.3599	0.830	10	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C(C[6]C[6]2)(N)	122.5060	1.355	2	122.5060	1.836	2	121.3599	0.830	10	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	121.3923	0.170	3	121.4408	0.029	4	121.3599	0.830	10	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(N)	121.5860	0.000	1	121.4408	0.029	4	121.3599	0.830	10	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]S)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6]S)(CN){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	120.4100	0.000	1	120.4100	0.000	1	121.3599	0.830	10	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){2|H<1>,6|C<3>}	C(C[6]C[6]2)(N)	121.2630	0.000	1	121.2630	0.000	1	121.2630	0.000	1	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	N[5,6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[5,6]N)(CN)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[5,6]N)(CN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(NHH){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(N)	117.8420	0.000	1	117.8420	0.000	1	118.6315	1.247	2	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	N[5,6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NHH){1|C<2>,1|C<4>,3|C<3>}	C(C[6]C[6]2)(N)	119.4210	0.000	1	119.4210	0.000	1	118.6315	1.247	2	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CN)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]H)(C[6]N[6]N)(CN){3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6]2)(N)	118.5930	0.000	1	118.5930	0.000	1	118.5930	0.000	1	120.4294	3.533	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:2:	C[5a,6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(C[6a]C[6a]2)	C(C[6]C[5a,6]C[6])(CC[6a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(CC){1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(C[6a]C[6a]2){2|N<3>,3|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6])(CC[6a])	122.2470	0.000	1	122.2470	0.000	1	122.2470	0.000	1	120.8364	3.743	5	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6]-3:C-2:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(CC)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C(C[6]C[6,6a]C[6])(CSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(CC){1|H<1>,6|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6])(CSi)	119.8490	0.000	1	119.8490	0.000	1	119.8490	0.000	1	120.8364	3.743	5	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(CC)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCO)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]C)(C[6]C[6]N)(CC){1|C<4>,1|N<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]O[6]C)(CCO){1|C<3>,1|N<3>}	C(C[6]C[6]2)(CC[6a])	118.0270	0.000	1	118.0270	0.000	1	118.0270	0.000	1	120.8364	3.743	5	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(CC)	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]C)(C[6]C[6]N)(CC){1|C<4>,1|N<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	C(C[6]C[6]2)(CC[6a])	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	120.8364	3.743	5	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:3:	3:2:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(CC)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(CPt)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(CC){1|Cu<4>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]2)(CPt)	121.2340	0.000	1	121.2340	0.000	1	121.2340	0.000	1	120.8364	3.743	5	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:4:	3:1:	C[5a,6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-1:	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3)	C(C[6]C[5a,6]C[6])(N)	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[5a,6]C[6])(N)	122.8660	0.000	1	122.8660	0.000	1	122.8660	0.000	1	121.6978	0.842	19	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:4:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH)	C[6](C[6]C[6]C)2(CC[6a]HN)	C(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)	122.2620	0.000	1	122.2620	0.000	1	122.2620	0.000	1	121.6978	0.842	19	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:4:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|F<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3){1|C<2>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(N)	124.2260	0.000	1	124.2260	0.000	1	121.6252	0.871	16	121.6978	0.842	19	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:4:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(N)	120.0960	0.000	1	120.0960	0.000	1	121.6252	0.871	16	121.6978	0.842	19	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:4:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(N)	122.4710	0.000	1	122.4710	0.000	1	121.6252	0.871	16	121.6978	0.842	19	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:4:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(N)	121.4347	0.548	10	121.4347	0.301	10	121.6252	0.871	16	121.6978	0.842	19	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:4:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(N)	121.4985	0.295	2	121.6213	0.089	3	121.6252	0.871	16	121.6978	0.842	19	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:4:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(N)	121.8670	0.000	1	121.6213	0.089	3	121.6252	0.871	16	121.6978	0.842	19	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:4:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C(C[6]C[6]2)(N)	C[6](C[6]N[6]C)(C[6]N[6]O)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	C(C[6]C[6]2)(N)	121.1260	0.000	1	121.1260	0.000	1	121.1260	0.000	1	121.6978	0.842	19	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:4:	3:2:	C[6,6a]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CCHH)	C(C[6]C[6,6a]C[6])(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CCHH){1|Pt<4>,2|C<3>}	C(C[6]C[6,6a]C[6])(CC[6a])	120.6570	2.193	2	120.6570	4.811	2	120.6570	4.811	2	120.6570	4.811	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:4:1:	3:1:	C[6,6a]-3:C[6]-3:C-2:	C[6]-3:C[6]-4:H-1:	C[6]-3:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN)	C[6](C[6]C[6,6a]C)(C[6]C[6]NiH)(H)	C(C[6]C[6,6a]C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]C[6]NiH)(H){1|C<2>,2|C<3>}	C(C[6]C[6,6a]C[6])(N)	119.4390	0.451	2	119.4390	0.204	2	119.4390	0.204	2	119.4390	0.204	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:4:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:C[6]-4:N-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6])(N)	116.7370	1.202	2	116.7370	1.445	2	116.7370	1.445	2	119.1505	8.303	4	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:4:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CN){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	121.5640	0.404	2	121.5640	0.164	2	121.5640	0.164	2	119.1505	8.303	4	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:4:3:	3:2:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:C[6]-4:C-3:	C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CNO)	C(C[6]C[6,6]C[6])(CSi)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CNO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(CSi)	119.9895	0.383	2	119.9895	0.146	2	119.9895	0.146	2	119.9895	0.146	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:1:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]O)(CN)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]O)(CN){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6]C[6,6]C[6])(N)	112.3130	1.584	2	112.3130	2.509	2	112.3130	2.509	2	118.5061	12.498	16	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:1:	3:1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CN)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]C)(H)	C(C[6]C[6,6a]C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CN){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]C)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6])(N)	120.8320	0.000	1	120.8320	0.000	1	120.8320	0.000	1	118.5061	12.498	16	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[6]2)(N)	120.2922	0.488	4	120.3366	0.189	5	121.3423	3.089	7	118.5061	12.498	16	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2)(N)	120.5140	0.000	1	120.3366	0.189	5	121.3423	3.089	7	118.5061	12.498	16	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(N)	123.8565	0.285	2	123.8565	0.081	2	121.3423	3.089	7	118.5061	12.498	16	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:1:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:O-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C(C[6]C[6]2)(N)	116.2730	0.542	5	116.2730	0.294	5	116.2730	0.294	5	118.5061	12.498	16	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:1:	3:1:	N[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CN)	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CN){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]N[6]C)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N)	119.8780	0.000	1	119.8780	0.000	1	119.8780	0.000	1	118.5061	12.498	16	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:1:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CPt)	C[6](C[6]C[6]H)2(CC){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CPt)	119.6560	0.000	1	119.6560	0.000	1	119.6560	0.000	1	119.6560	0.000	1	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:2:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[5,6]-4:C[6]-3:N-2:	C[6]-3:N-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]N)(CN)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]N)(CN){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6]C[6,6]C[6])(N)	112.9579	1.418	7	112.9579	2.011	7	112.9579	2.011	7	113.0630	1.812	8	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:2:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:N-2:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,1|H<1>,2|C<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(NH){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(N)	113.7990	0.000	1	113.7990	0.000	1	113.7990	0.000	1	113.0630	1.812	8	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:3:	3:1:	C[5,6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CN)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]C)(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[5,6]C)(NHH){1|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(N)	117.9610	0.000	1	117.9610	0.000	1	117.9610	0.000	1	117.6147	1.976	10	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(CN)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6]C[6,6]C[6])(N)	117.1440	0.000	1	117.1440	0.000	1	117.1440	0.000	1	117.6147	1.976	10	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN)	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C(C[6]C[6,6]C[6])(N)	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	117.6147	1.976	10	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH){1|C<4>,3|C<3>}	C(C[6]C[6,6]C[6])(N)	117.0810	0.000	1	117.0810	0.000	1	117.4690	0.113	3	117.6147	1.976	10	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:3:	3:1:	C[6,6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)(CN)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)(CN){2|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH){4|C<3>}	C(C[6]C[6,6]C[6])(N)	117.6630	0.000	2	117.6630	0.000	2	117.4690	0.113	3	117.6147	1.976	10	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]N)(CN)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]N)(CN){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	116.4750	0.000	1	116.4750	0.000	1	116.4750	0.000	1	117.6147	1.976	10	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:C-3:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(N)	120.6230	0.000	1	120.6230	0.000	1	120.6230	0.000	1	117.6147	1.976	10	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,2|C<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	118.7760	0.000	1	118.7760	0.000	1	118.1270	0.842	2	117.6147	1.976	10	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:3:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(CN){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,3|C<3>}	C(C[6]C[6]2)(N)	117.4780	0.000	1	117.4780	0.000	1	118.1270	0.842	2	117.6147	1.976	10	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:3:	3:2:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CC)	C[6](C[6]C[6a]Si[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CC){1|Si<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]Si[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C(C[6]C[6]2)(CC[6a])	118.3480	0.000	1	118.3480	0.000	1	118.3480	0.000	1	118.3480	0.000	1	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:4:	3:1:	C[6]-3:C[6]-3:C-2:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[5,6]C)(C[6]N[6]N)(CN)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]C)(C[6]N[6]N)(CN){2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(CH3){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6]2)(N)	120.4230	0.000	1	120.4230	0.000	1	120.4230	0.000	1	120.8710	0.401	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	4:3:4:	3:1:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,1|H<1>,2|C<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6]2)(N)	121.3190	0.000	1	121.3190	0.000	1	121.3190	0.000	1	120.8710	0.401	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:4:2:	3:3:3:	3:1:	C[6]-3:C[6]-4:C-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]H){3|C<3>,4|H<1>}	C(C[6]C[6]2)(N)	123.3230	0.000	1	123.3230	0.000	1	123.3230	0.000	1	122.1870	1.200	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:4:2:	3:3:3:	3:1:	C[6]-3:C[6]-4:C-2:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN)	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN){1|N<2>,4|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	C(C[6]C[6]2)(N)	121.6190	0.682	2	121.6190	0.465	2	121.6190	0.465	2	122.1870	1.200	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:4:2:	4:3:1:	3:1:	C[6]-3:C[6]-4:C-2:	C[3,6]-4:C[6]-3:C-1:	C[6]-3:N-1:	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(C)	C(C[6]C[6]2)(N)	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN){2|C<3>,2|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(C){1|N<3>,1|O<1>,6|H<1>}	C(C[6]C[6]2)(N)	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:4:2:	4:3:3:	3:1:	C[6]-3:C[6]-4:C-2:	C[3,6]-4:C[6]-3:C-3:	C[6]-3:N-1:	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN){1|C<4>,3|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH){1|N<3>,1|O<1>,5|H<1>}	C(C[6]C[6]2)(N)	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	119.2400	3.150	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:4:2:	4:3:3:	3:1:	C[6]-3:C[6]-4:C-2:	C[6,6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CN)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CN){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]C)(NHH){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6]2)(N)	117.9850	0.000	1	117.9850	0.000	1	117.9850	0.000	1	119.2400	3.150	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	3:4:2:	4:3:4:	3:1:	C[6]-3:C[6]-4:C-2:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(CN)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(CN){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2)(N)	120.4860	0.000	1	120.4860	0.000	1	120.4860	0.000	1	120.4860	0.000	1	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:2:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-2:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[5,6])(C[6]C[6]C)(NH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]C)(NH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	117.2360	0.000	1	117.2360	0.000	1	117.7793	0.256	3	117.7793	0.256	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:2:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-2:	C[6]-3:N-1:	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH){1|C<4>,3|C<3>}	C(C[6]C[6]2)(N)	118.2380	0.000	1	118.2380	0.000	1	117.7793	0.256	3	117.7793	0.256	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:2:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-2:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC){1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	117.8640	0.000	1	117.8640	0.000	1	117.7793	0.256	3	117.7793	0.256	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(N)	117.1155	0.459	2	117.9638	1.174	4	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|S<4>,3|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	118.8120	0.658	2	117.9638	1.174	4	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN){2|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<3>,1|N<2>,2|C<4>}	C(C[6]C[6]2)(N)	115.9325	1.189	2	116.5327	1.787	3	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN){2|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(N)	117.7330	0.000	1	116.5327	1.787	3	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN){4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<4>,1|N<2>,2|C<3>}	C(C[6]C[6]2)(N)	116.9270	0.000	1	116.9270	0.000	1	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){1|S<2>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	117.4900	0.000	1	117.4850	0.467	5	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]2)(N)	117.0943	0.156	3	117.4850	0.467	5	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(N)	118.6520	0.000	1	117.4850	0.467	5	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	119.5530	0.006	2	118.9543	0.468	27	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|S<4>,3|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	117.6270	0.000	1	118.9543	0.468	27	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	118.8670	0.584	22	118.9543	0.468	27	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	119.9785	0.524	2	118.9543	0.468	27	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,3|C<3>}	C(C[6]C[6]2)(N)	118.7200	0.000	1	118.7200	0.000	1	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	118.6257	0.504	4	118.2705	0.468	6	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	117.5600	0.252	2	118.2705	0.468	6	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|C<4>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	117.8035	0.043	2	117.7210	0.213	8	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	117.6195	0.706	2	117.7210	0.213	8	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	117.7305	0.565	4	117.7210	0.213	8	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	118.5760	0.000	1	118.5760	0.000	1	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	118.1084	0.994	25	118.1084	0.989	25	118.2589	0.988	81	118.2589	0.988	81	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	2:3:4:	3:1:	C[6]-4:C[6]-3:C-2:	O[6]-2:C[6]-3:N-4:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](O[6]C[6,6])(C[6]C[6]C)(NH3)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	117.0080	0.000	1	117.0080	0.000	1	117.0080	0.000	1	117.0080	0.000	1	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:Br-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]Br)(CN)	C[6](C[6]C[6]C)(O[6]C[6])(Br)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]Br)(CN){4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(Br){1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	120.2860	0.000	1	120.2860	0.000	1	120.2860	0.000	1	120.2860	0.000	1	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:F-1:	C[6]-3:C-2:	C[6](C[6]C[6]HH)(C[6]O[6]F)(CC)	C[6](C[6]C[6]C)(O[6]C[6])(F)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]HH)(C[6]O[6]F)(CC){2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(F){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	121.6020	0.000	1	121.6020	0.000	1	121.6020	0.000	1	121.1185	0.468	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:H-1:	C[6]-3:C-2:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]H)(CC)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6a]C[6]H)(C[6]O[6]H)(CC){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a])	120.6350	0.000	1	120.6350	0.000	1	120.6350	0.000	1	121.1185	0.468	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:2:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-2:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NC)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NC){1|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	117.0380	0.861	2	117.0380	0.742	2	117.0380	0.742	2	117.4307	0.833	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:2:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-2:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6]C[6]C)(O[6]C[6])(NC)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NC){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	117.4307	0.833	3	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6]C[5]2)(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6]C[5]2)(C[6]O[6]N)(CN){1|S<4>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){1|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	117.4960	0.000	1	117.4960	0.000	1	117.4927	1.919	27	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN){1|N<2>,5|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<2>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	117.8870	0.000	1	117.8870	0.000	1	117.4927	1.919	27	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){1|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	117.7670	0.000	1	116.8675	1.618	2	117.4927	1.919	27	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){4|C<3>}	C(C[6]C[5,6]C[6])(N)	115.9680	0.000	1	116.8675	1.618	2	117.4927	1.919	27	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	117.9658	1.103	5	117.9658	1.216	5	117.4927	1.919	27	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<2>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	117.0340	0.242	3	117.8100	1.481	6	117.4927	1.919	27	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	118.5860	1.356	3	117.8100	1.481	6	117.4927	1.919	27	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){4|C<3>}	C(C[6]C[5,6]C[6])(N)	117.8910	0.000	1	117.3873	0.250	7	117.4927	1.919	27	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	117.2586	0.535	5	117.3873	0.250	7	117.4927	1.919	27	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|O<1>,5|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	117.5270	0.000	1	117.3873	0.250	7	117.4927	1.919	27	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	C(C[6]C[5,6]C[6])(N)	118.1617	0.657	4	118.1617	0.432	4	117.4927	1.919	27	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	112.1370	0.000	1	112.1370	0.000	1	117.4927	1.919	27	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[6,6]-4:C[6]-3:C-2:	C[6]-3:N[6]-2:N-3:	C[6]-3:N-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH){1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6,6]C[6])(N)	119.3250	0.000	1	120.2580	1.741	2	120.2580	1.741	2	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[6,6]-4:C[6]-3:C-2:	C[6]-3:N[6]-2:N-3:	C[6]-3:N-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6])(N)	121.1910	0.000	1	120.2580	1.741	2	120.2580	1.741	2	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-2:N-3:	C[6]-3:N-1:	C[6](C[6]N[6]CH)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]N[6]CH)(C[6]N[6]N)(CN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(N)	119.6510	0.000	1	119.6510	0.000	1	119.6510	0.000	1	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN){2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(N)	118.0830	0.356	2	118.0830	0.127	2	118.5484	1.449	19	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	117.1897	0.520	3	118.6031	1.592	17	118.5484	1.449	19	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:O[6]-2:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	118.9060	1.165	14	118.6031	1.592	17	118.5484	1.449	19	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:S[6]-2:N-3:	C[6]-3:N-1:	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN)	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN){1|S<2>,3|C<3>}	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|H<1>,1|S<2>,2|C<3>}	C(C[6]C[6]2)(N)	116.6850	0.000	1	116.6850	0.000	1	116.9010	0.093	2	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:S[6]-2:N-3:	C[6]-3:N-1:	C[6](C[6]C[6]HH)(C[6]S[6]N)(CN)	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]HH)(C[6]S[6]N)(CN){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(N)	117.1170	0.000	1	117.1170	0.000	1	116.9010	0.093	2	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:2:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:N[6]-2:C[6]-3:	C[6]-3:N-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]C)	C(C[6]C[6]2)(N)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN){1|N<2>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(N)	121.0870	0.000	1	121.0870	0.000	1	121.0870	0.000	1	118.0726	2.256	52	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(CN){2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(N)	117.8630	0.000	1	117.8630	0.000	1	118.6257	0.458	3	120.0101	2.455	13	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]DH)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]DH)(C[6]N[6]H)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|D<1>,2|H<1>}	C(C[6]C[6]2)(N)	118.8590	0.000	1	118.8590	0.000	1	118.6257	0.458	3	120.0101	2.455	13	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN){2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(N)	119.1550	0.000	1	119.1550	0.000	1	118.6257	0.458	3	120.0101	2.455	13	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN){1|C<2>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	118.6670	0.598	2	118.6670	0.358	2	118.6670	0.358	2	120.0101	2.455	13	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:1:	3:1:	P[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CN)	C[6](C[6]C[6,6a]C[6a])(C[6]P[6]C)(H)	C(C[6]C[6]P[6])(N)	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CN){7|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]P[6]C)(H){6|C<3>}	C(C[6]C[6]P[6])(N)	120.1180	0.000	1	120.1180	0.000	1	120.8650	1.854	8	120.0101	2.455	13	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:1:	3:1:	P[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](P[6]C[6a]2C[6])(C[6]C[6]H)(CN)	C[6](C[6]C[6]C)(C[6]P[6]C)(H)	C(C[6]C[6]P[6])(N)	C[6](P[6]C[6a]2C[6])(C[6]C[6]H)(CN){1|C<2>,6|C<3>}	C[6](C[6]C[6]C)(C[6]P[6]C)(H){1|H<1>,3|C<3>}	C(C[6]C[6]P[6])(N)	121.6365	1.008	2	121.6365	1.015	2	120.8650	1.854	8	120.0101	2.455	13	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:1:	3:1:	P[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](P[6]C[6a]2C[6])(C[6]C[6]H)(CN)	C[6](C[6]C[6]H)(C[6]P[6]C)(H)	C(C[6]C[6]P[6])(N)	C[6](P[6]C[6a]2C[6])(C[6]C[6]H)(CN){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6]C[6]H)(C[6]P[6]C)(H){1|H<1>,3|C<3>}	C(C[6]C[6]P[6])(N)	120.7058	1.588	5	120.7058	2.522	5	120.8650	1.854	8	120.0101	2.455	13	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:1:	3:2:	C[6,6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(CC)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6])(CFe)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(CC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6])(CFe)	121.2930	1.318	2	121.2930	1.737	2	121.2930	1.737	2	120.0623	2.604	4	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(NFe)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2)(NFe)	118.8315	0.127	2	118.8315	0.016	2	118.8315	0.016	2	120.0623	2.604	4	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:2:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:N-1:	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(O[6]C[6])	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6a]O[6])(CN){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[5,6]C[6])(N)	121.6970	0.000	1	121.6970	0.000	1	121.6970	0.000	1	120.2588	1.094	15	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:2:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-1:	C[6](C[6]C[6]2C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]2C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH){1|Cl<1>,1|C<2>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(N)	121.0360	0.000	1	121.0360	0.000	1	121.0360	0.000	1	120.2588	1.094	15	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:2:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:S-2:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(SC[6a])	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SC[6a]){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(N)	120.7620	0.000	1	120.7620	0.000	1	120.7620	0.000	1	120.2588	1.094	15	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:2:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(N)	118.7320	1.486	2	120.0322	1.070	12	120.0322	1.070	12	120.2588	1.094	15	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:2:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6]2)(N)	120.8090	0.000	1	120.0322	1.070	12	120.0322	1.070	12	120.2588	1.094	15	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:2:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6]2)(N)	119.7020	0.000	1	120.0322	1.070	12	120.0322	1.070	12	120.2588	1.094	15	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:2:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	120.1500	0.775	7	120.0322	1.070	12	120.0322	1.070	12	120.2588	1.094	15	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:2:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	121.3620	0.000	1	120.0322	1.070	12	120.0322	1.070	12	120.2588	1.094	15	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:2:	3:2:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC){6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){3|H<1>,5|C<3>}	C(C[6]C[6]2)(CC[6a])	122.5780	0.171	2	122.5780	0.029	2	122.5780	0.029	2	122.5780	0.029	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H){4|C<3>}	C(C[6]C[5,6]C[6])(N)	118.9510	0.000	1	118.9510	0.000	1	118.9510	0.000	1	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	N[5a,6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH){1|C<4>,1|N<2>,4|C<3>}	C(C[6]C[5,6]C[6])(N)	118.1680	0.000	1	118.1680	0.000	1	118.1680	0.000	1	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	N[6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN)	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN){1|N<3>,1|O<1>,5|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH){1|C<4>,5|C<3>}	C(C[6]C[5,6]C[6])(N)	118.3210	1.063	3	118.3210	1.131	3	118.3210	1.131	3	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C(C[6]C[6]2)(N)	121.3590	0.979	2	121.9905	0.851	4	121.9905	0.851	4	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){2|H<1>,5|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C(C[6]C[6]2)(N)	122.6220	0.000	2	121.9905	0.851	4	121.9905	0.851	4	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(N)	119.7900	0.123	2	119.7900	0.015	2	119.3612	0.254	4	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	118.8590	0.000	1	118.8590	0.000	1	119.3612	0.254	4	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|H<1>,1|S<2>,2|C<3>}	C(C[6]C[6]2)(N)	119.0060	0.000	1	119.0060	0.000	1	119.3612	0.254	4	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C(C[6]C[6]2)(N)	121.0054	0.669	9	120.9702	0.410	10	120.9702	0.410	10	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C(C[6]C[6]2)(N)	120.6530	0.000	1	120.9702	0.410	10	120.9702	0.410	10	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	N[5a,6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN){1|N<3>,5|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(N)	117.0820	0.000	1	117.0820	0.000	1	117.0820	0.000	1	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	N[6,6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(N)	119.0920	0.000	1	119.0920	0.000	1	119.0920	0.000	1	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	N[6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](N[6]C[5,6]C)(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN){1|C<4>,4|C<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	118.4740	0.000	1	118.4740	0.000	1	118.7897	1.338	10	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	N[6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){5|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	118.4347	0.236	3	118.4347	0.056	3	118.7897	1.338	10	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	N[6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	118.1080	0.561	2	118.1080	0.315	2	118.7897	1.338	10	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	N[6]-3:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C(C[6]C[6]2)(N)	119.4758	1.665	4	119.4758	2.774	4	118.7897	1.338	10	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN){1|H<1>,6|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	119.7720	0.000	1	119.7720	0.000	1	120.6215	1.443	2	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(CN)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(N)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(CN){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,4|H<1>}	C(C[6]C[6]2)(N)	121.4710	0.000	1	121.4710	0.000	1	120.6215	1.443	2	119.7974	2.383	37	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:4:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(N)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	120.2940	0.320	2	120.0487	0.232	3	119.9713	0.161	14	119.9713	0.161	14	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:4:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(N)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	119.5580	0.000	1	120.0487	0.232	3	119.9713	0.161	14	119.9713	0.161	14	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:4:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	119.8762	0.328	5	119.9502	0.161	11	119.9713	0.161	14	119.9713	0.161	14	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:4:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(N)	120.0118	0.476	6	119.9502	0.161	11	119.9713	0.161	14	119.9713	0.161	14	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	3:3:4:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-2:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(CC)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CC)	119.5600	0.308	2	119.5600	0.095	2	119.5600	0.095	2	119.5600	0.095	2	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:1:	3:1:	C[6,6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]H)(CN)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]H)(CN){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	C(C[6]C[6,6]C[6])(N)	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	119.3229	2.314	7	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CN)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CN){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(N)	117.3770	0.000	1	117.3770	0.000	1	117.3770	0.000	1	119.3229	2.314	7	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5,6]BH)(C[6]C[6]H)(CN)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]BH)(C[6]C[6]H)(CN){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(N)	117.1230	0.000	1	117.1230	0.000	1	119.5514	2.297	5	119.3229	2.314	7	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]BH)(C[6]C[6]H)(CN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]BH)(C[6]C[6]H)(CN){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N)	119.5430	0.478	2	119.5430	0.228	2	119.5514	2.297	5	119.3229	2.314	7	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)	C[6](C[6]C[6]BH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN){1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	120.7740	0.273	2	120.7740	0.074	2	119.5514	2.297	5	119.3229	2.314	7	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CP[5])	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CP[5])	119.1870	0.000	1	119.1870	0.000	1	121.5026	1.218	8	121.5026	1.218	8	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC)	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC){1|N<3>,4|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(CH)	122.6970	0.000	1	122.6970	0.000	1	121.5026	1.218	8	121.5026	1.218	8	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(CC)	122.5000	0.000	1	122.5000	0.000	1	121.5026	1.218	8	121.5026	1.218	8	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(CC[6a])	121.1390	0.000	1	121.1390	0.000	1	121.5026	1.218	8	121.5026	1.218	8	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6]OO)(C[6]C[6]H)(CC)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]OO)(C[6]C[6]H)(CC){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|O<2>}	C(C[6]C[6]2)(CC[6a])	121.6245	0.430	4	121.6245	0.185	4	121.5026	1.218	8	121.5026	1.218	8	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(N)	119.0585	0.296	2	118.9000	0.693	4	118.9000	0.693	4	118.0557	1.081	9	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C(C[6]C[6]2)(N)	118.7415	1.375	2	118.9000	0.693	4	118.9000	0.693	4	118.0557	1.081	9	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]N)(CN)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]N)(CN){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	C(C[6]C[6]2)(N)	117.6730	0.000	1	117.6730	0.000	1	117.6730	0.000	1	118.0557	1.081	9	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN){1|C<4>,1|S<2>,2|C<2>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	116.7420	0.153	2	116.7420	0.023	2	117.3070	0.442	4	118.0557	1.081	9	119.9762	5.541	1336	119.9915	5.698	1393
762	762	983	0:SP2_SP1_SP2	C[6]	C[6]	C	4:3:2:	4:3:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:N-3:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	117.8720	0.157	2	117.8720	0.025	2	117.3070	0.442	4	118.0557	1.081	9	119.9762	5.541	1336	119.9915	5.698	1393
762	762	992	0:SP2_SP2_SP3	C[6,6]	C[6,6]	P	4:3:4:	4:3:4:	3:3:3:1:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6a]-3:C[6a]-3:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3)	P(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3){1|H<1>,4|C<3>}	P(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(O)	126.3640	0.000	1	126.3640	0.000	1	126.3640	0.000	1	128.8956	11.922	7	129.4477	12.658	8	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6,6]	C[6,6]	P	4:3:4:	4:3:4:	3:3:3:1:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6]-3:C[6a]-3:C[6a]-3:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O)	P(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O){1|H<1>,4|C<3>}	P(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(O)	129.3175	3.579	6	129.3175	12.811	6	129.3175	12.811	6	128.8956	11.922	7	129.4477	12.658	8	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6,6]	C[6,6]	P	4:3:4:	4:3:4:	3:3:3:2:	P[3x6]-4:C[6,6]-3:P-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6a]-3:C[6a]-3:S-2:	C[6,6](P[3x6]C[6,6]2Pd)(C[6,6]C[3x6]C)(PC[6a]2S)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3)	P(C[6,6]C[6,6]P[3x6])(C[6a]C[6a]2)2(SPd)	C[6,6](P[3x6]C[6,6]2Pd)(C[6,6]C[3x6]C)(PC[6a]2S){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3){1|Pd<4>,4|C<3>}	P(C[6,6]C[6,6]P[3x6])(C[6a]C[6a]2)2(SPd)	133.3130	0.000	1	133.3130	0.000	1	133.3130	0.000	1	133.3130	0.000	1	129.4477	12.658	8	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6,6]	P	3:3:4:	4:4:3:	3:3:3:1:	C[6,6]-3:C[6]-3:P-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P)	P(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	P(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:2:4:	3:3:1:	3:3:3:2:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6])(PN[5]NN)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	C[6](C[6]C[6]H)(C[6]C[6])(PN[5]NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:2:4:	3:3:1:	3:3:3:3:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3(C[6]C[6]2)	120.3030	0.000	1	120.3030	0.000	1	120.3030	0.000	1	120.3030	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:2:4:	4:3:1:	3:2:2:1:	C[6]-3:O[6]-2:P-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(PO3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]P)(H)	P(C[6]C[6]O[6])(OC)2(O)	C[6](C[6]C[6]H)(O[6]C[6])(PO3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]P)(H){1|C<4>,1|H<1>,3|C<3>}	P(C[6]C[6]O[6])(OC)2(O)	122.3590	0.000	1	122.3590	0.000	1	122.3590	0.000	1	122.3590	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:2:1:	3:3:2:2:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-2:H-1:	C[6a]-3:C[6]-3:N-2:N-2:	C[6](C[6]C[6]H)2(PC[6a]NN)	C[6](C[6]C[6]P)(C[6]C[6])(H)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)2	C[6](C[6]C[6]H)2(PC[6a]NN){1|C<3>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)2	119.7450	0.000	1	119.7450	0.000	1	119.7450	0.000	1	119.7450	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:2:1:	3:3:3:2:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-2:H-1:	C[6a]-3:C[6]-3:C-3:O-2:	C[6](C[6]C[6]H)2(PC[6a]CO)	C[6](C[6]C[6]P)(C[6]C[6])(H)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCH)(OZn)	C[6](C[6]C[6]H)2(PC[6a]CO){1|C<3>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)(CCH)(OZn)	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	119.4167	1.763	3	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:2:1:	3:3:3:2:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)2(PC[6a]2N)	C[6](C[6]C[6]P)(C[6]C[6])(H)	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	C[6](C[6]C[6]H)2(PC[6a]2N){1|C<3>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	118.6500	0.000	2	118.6500	0.000	2	118.6500	0.000	2	119.4167	1.763	3	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:2:1:	3:3:3:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(PC[6a]3)	C[6](C[6]C[6]P)(C[6]C[6])(H)	P(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)2(PC[6a]3){1|C<3>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(C[6]C[6]2)	119.7070	0.000	1	119.7070	0.000	1	119.7070	0.000	1	118.4437	2.524	3	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:2:1:	3:3:3:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:O[6]-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]O[6]O)(PC[6a]3)	C[6](C[6]C[6]P)(O[6]C[6])(O)	P(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]O[6]O)(PC[6a]3){1|C<3>,1|P<4>}	C[6](C[6]C[6]P)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	P(C[6a]C[6a]2)3(C[6]C[6]2)	117.8120	1.629	2	117.8120	2.654	2	117.8120	2.654	2	118.4437	2.524	3	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:2:4:	3:2:2:1:	C[6,6a]-3:C[6]-3:P-4:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3)	C[6](C[6]C[6,6a]P)(O[6]C[6])(CH3)	P(C[6]C[6,6a]C[6])(OC)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]P)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	P(C[6]C[6,6a]C[6])(OC)2(O)	122.1010	0.000	1	122.1010	0.000	1	122.1010	0.000	1	122.1010	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:2:4:	3:3:3:1:	C[6,6a]-3:C[6]-3:P-4:	C[6]-3:O[6]-2:C-4:	C[6]-3:C[6a]-3:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PC[6a]2O)	C[6](C[6]C[6,6a]P)(O[6]C[6])(CCCH)	P(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]P)(O[6]C[6])(CCCH){2|C<3>,2|H<1>}	P(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2(O)	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6]C[6]2)(OH)(O)2	118.4450	0.000	1	118.4450	0.000	1	122.0610	7.217	5	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|N<3>,2|H<1>}	P(C[6]C[6]2)(OH)(O)2	121.3930	0.000	1	121.3930	0.000	1	122.0610	7.217	5	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6]C[6]2)(OH)(O)2	125.6860	0.000	1	123.5395	9.215	2	122.0610	7.217	5	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|N<3>,2|H<1>}	P(C[6]C[6]2)(OH)(O)2	121.3930	0.000	1	123.5395	9.215	2	122.0610	7.217	5	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]P)2(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)2(H){1|N<3>,2|H<1>}	P(C[6]C[6]2)(OH)(O)2	123.3880	0.000	1	123.3880	0.000	1	122.0610	7.217	5	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	P(C[6]C[6]2)(OH)(O)2	118.5470	0.000	1	119.0635	2.921	4	119.0635	2.921	4	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	P(C[6]C[6]2)(OH)(O)2	120.5150	0.000	1	119.0635	2.921	4	119.0635	2.921	4	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	P(C[6]C[6]2)(OH)(O)2	116.8710	0.000	1	119.0635	2.921	4	119.0635	2.921	4	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	P(C[6]C[6]2)(OH)(O)2	120.3210	0.000	1	119.0635	2.921	4	119.0635	2.921	4	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	P(C[6]C[6]N[6])(OH)(O)2	123.4490	1.300	2	123.1273	1.155	3	122.5632	1.200	5	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	P(C[6]C[6]N[6])(OH)(O)2	122.4840	0.000	1	123.1273	1.155	3	122.5632	1.200	5	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	P(C[6]C[6]N[6])(OH)(O)2	121.9420	0.000	1	121.9420	0.000	1	122.5632	1.200	5	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]P)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	P(C[6]C[6]N[6])(OH)(O)2	121.4920	0.000	1	121.4920	0.000	1	122.5632	1.200	5	121.3839	5.632	14	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6]C[6]2)(OH)2(O)	122.5970	0.000	1	122.5970	0.000	1	120.8682	1.462	24	120.9997	2.053	27	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]P)2(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)2(H){1|N<3>,2|H<1>}	P(C[6]C[6]2)(OH)2(O)	120.7800	0.000	1	120.7800	0.000	1	120.8682	1.462	24	120.9997	2.053	27	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	P(C[6]C[6]2)(OH)2(O)	120.2950	1.642	5	120.7391	1.890	9	120.8682	1.462	24	120.9997	2.053	27	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	P(C[6]C[6]2)(OH)2(O)	121.2943	0.841	4	120.7391	1.890	9	120.8682	1.462	24	120.9997	2.053	27	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	P(C[6]C[6]2)(OC)2(O)	C[6](C[6]C[6]H)2(PO3){1|N<3>,2|H<1>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	P(C[6]C[6]2)(OC)2(O)	120.9955	0.503	2	120.9955	0.253	2	120.8682	1.462	24	120.9997	2.053	27	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	P(C[6]C[6]2)(OH)2(O)	121.4510	1.289	5	120.9554	1.380	10	120.8682	1.462	24	120.9997	2.053	27	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	P(C[6]C[6]2)(OH)2(O)	120.1248	0.598	4	120.9554	1.380	10	120.8682	1.462	24	120.9997	2.053	27	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	P(C[6]C[6]2)(OH)2(O)	121.8000	0.000	1	120.9554	1.380	10	120.8682	1.462	24	120.9997	2.053	27	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]P)(C[6]N[6]P)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]P)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	P(C[6]C[6]2)(OH)2(O)	119.2620	0.000	1	119.2620	0.000	1	120.8682	1.462	24	120.9997	2.053	27	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	P(C[6]C[6]2)(OH)2(O)	120.9650	0.000	1	120.4460	0.539	2	120.4460	0.539	2	120.9997	2.053	27	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	P(C[6]C[6]2)(OH)2(O)	119.9270	0.000	1	120.4460	0.539	2	120.4460	0.539	2	120.9997	2.053	27	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(PO3)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])(OCo)(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6]C[6]N[6])(OCo)(OH)(O)	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	120.9997	2.053	27	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:2:2:2:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:O-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])(OAl)3	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	P(C[6]C[6]N[6])(OAl)3	123.0420	1.557	4	123.0420	2.424	4	123.0420	2.424	4	123.0420	2.424	4	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)2(PC[6a]NO)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)2(PC[6a]NO){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)(O)	120.6875	4.118	4	120.6875	16.961	4	120.6875	16.961	4	120.6875	16.961	4	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:2:2:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-2:N-2:	C[6](C[6]C[6]H)2(PC[6a]NN)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)2	C[6](C[6]C[6]H)2(PC[6a]NN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)2	120.9820	0.000	1	120.9820	0.000	1	120.9820	0.000	1	120.9820	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:F-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(PC[6a]2F)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])(C[6a]C[6a]2)2(F)	C[6](C[6]C[6]H)(N[6]C[6]C)(PC[6a]2F){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6]C[6]N[6])(C[6a]C[6a]2)2(F)	117.5280	0.000	1	117.5280	0.000	1	117.5280	0.000	1	119.4850	0.820	39	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:O-1:	C[6](N[6]C[6]Ag)(C[6]C[6]H)(PC[6]2O)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Ag<6>,1|C<3>,1|H<1>}	P(C[6]C[6]N[6])3(O)	118.2723	0.617	3	118.2723	0.381	3	119.3668	0.648	29	119.4850	0.820	39	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(PC[6]2O)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Co<6>,1|C<3>,1|H<1>}	P(C[6]C[6]N[6])3(O)	120.2300	0.288	2	120.2300	0.083	2	119.3668	0.648	29	119.4850	0.820	39	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2O)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	P(C[6]C[6]N[6])3(O)	119.4741	0.755	21	119.4741	0.570	21	119.3668	0.648	29	119.4850	0.820	39	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6]2O)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<6>,1|C<3>,1|H<1>}	P(C[6]C[6]N[6])3(O)	119.1347	0.447	3	119.1347	0.200	3	119.3668	0.648	29	119.4850	0.820	39	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:S-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2S)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])3(S)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	P(C[6]C[6]N[6])3(S)	120.0833	0.834	9	120.0833	0.696	9	120.0833	0.696	9	119.4850	0.820	39	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:2:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C-3:O-2:	C[6](C[6]C[6]H)2(PC[6a]CO)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCH)(OZn)	C[6](C[6]C[6]H)2(PC[6a]CO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)(CCH)(OZn)	120.4450	0.000	1	120.4450	0.000	1	120.4450	0.000	1	121.5997	1.000	3	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:2:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)2(PC[6a]2N)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	C[6](C[6]C[6]H)2(PC[6a]2N){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	122.1770	0.000	2	122.1770	0.000	2	122.1770	0.000	2	121.5997	1.000	3	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(PC[6a]3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(PC[6a]3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	P(C[6a]C[6a]2)3(C[6]C[6]2)	123.3720	0.000	1	123.3720	0.000	1	120.8447	8.804	7	121.4874	11.919	13	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]S)(PC[6a]3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]S)(PC[6a]3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|S<4>}	P(C[6a]C[6a]2)3(C[6]C[6]2)	115.8620	0.000	1	115.8620	0.000	1	120.8447	8.804	7	121.4874	11.919	13	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]O[6]O)(PC[6a]3)	C[6](C[6]C[6]P)2(H)	P(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]O[6]O)(PC[6a]3){1|C<3>,1|P<4>}	C[6](C[6]C[6]P)2(H){1|O<2>,2|O<1>}	P(C[6a]C[6a]2)3(C[6]C[6]2)	122.8670	1.561	2	122.8670	2.438	2	120.8447	8.804	7	121.4874	11.919	13	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(PC[6a]3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)2(PC[6a]3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	P(C[6a]C[6a]2)3(C[6]C[6]2)	120.7490	0.000	1	120.7490	0.000	1	120.8447	8.804	7	121.4874	11.919	13	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(PC[6a]3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	P(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)2(PC[6a]3){1|N<3>,2|H<1>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)3(C[6]C[6]2)	120.0980	3.141	2	120.0980	9.866	2	120.8447	8.804	7	121.4874	11.919	13	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(PC[6a]3)	C[6](C[6]C[6]H)(C[6]C[6]P)(O)	P(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(PC[6a]3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(O){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(C[6]C[6]2)	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	121.4874	11.919	13	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:3:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6a]2N)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])(C[6a]C[6a]2)2(NFeSi)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6a]2N){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<5>,1|C<3>,1|H<1>}	P(C[6]C[6]N[6])(C[6a]C[6a]2)2(NFeSi)	123.6873	0.524	4	123.6873	0.275	4	123.8932	0.418	5	121.4874	11.919	13	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:3:3:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(PC[6a]2N)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])(C[6a]C[6a]2)2(NSiZn)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(PC[6a]2N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Zn<4>,1|C<3>,1|H<1>}	P(C[6]C[6]N[6])(C[6a]C[6a]2)2(NSiZn)	124.7170	0.000	1	124.7170	0.000	1	123.8932	0.418	5	121.4874	11.919	13	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:4:1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])2(CCHH)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	P(C[6]C[6]N[6])2(CCHH)(O)	118.5740	1.224	12	118.5740	1.499	12	118.4299	1.221	18	118.4299	1.221	18	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:4:1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])2(CC[6a]HH)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	P(C[6]C[6]N[6])2(CC[6a]HH)(O)	117.7373	0.321	4	117.7373	0.103	4	118.4299	1.221	18	118.4299	1.221	18	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:3:4:1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6]C[6]N[6])2(CH3)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	P(C[6]C[6]N[6])2(CH3)(O)	118.9510	1.119	2	118.9510	1.251	2	118.4299	1.221	18	118.4299	1.221	18	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:4:4:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:C-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(PC3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6]C[6]2)(CH3)2(CHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(PC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	P(C[6]C[6]2)(CH3)2(CHH)	121.3990	0.000	1	121.3990	0.000	1	121.3990	0.000	1	120.9340	0.432	2	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:1:	3:4:4:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:C-4:C-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(PC3)	C[6](C[6]C[6]H)(C[6]C[6]P)(O)	P(C[6]C[6]2)(CH3)2(CHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(PC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(O){1|C<3>,2|H<1>}	P(C[6]C[6]2)(CH3)2(CHH)	120.4690	0.000	1	120.4690	0.000	1	120.4690	0.000	1	120.9340	0.432	2	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:3:	3:2:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:C-3:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3)	C[6](C[6]C[6]P)(N[6]C[6]H)(COO)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	P(C[6]C[6]2)(OH)(O)2	123.7890	0.000	1	123.7890	0.000	1	123.7890	0.000	1	126.3983	6.042	3	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:3:	3:2:1:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]N[6]P)(COO)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(COO){1|C<3>,2|H<1>}	P(C[6]C[6]N[6])(OH)(O)2	127.7030	1.368	2	127.7030	1.870	2	127.7030	1.870	2	126.3983	6.042	3	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:4:	3:2:2:1:	C[5a,6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3)	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3)	P(C[6]C[5a,6]C[6])(OC)2(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	P(C[6]C[5a,6]C[6])(OC)2(O)	121.9380	0.000	1	121.9380	0.000	1	121.9380	0.000	1	121.9380	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:4:	3:3:3:1:	C[6,6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H)	C[6](C[6]C[6,6]P)(C[6]C[6]H)(BC[6a]2C)	P(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]P)(C[6]C[6]H)(BC[6a]2C){1|C<3>,1|H<1>,2|C<4>}	P(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	117.1100	0.000	1	117.1100	0.000	1	117.1100	0.000	1	117.1100	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:3:4:	3:3:4:	3:3:3:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:S-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]S)(PC[6a]3)	C[6](C[6]C[6]O)(C[6]C[6]P)(SCOO)	P(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]S)(PC[6a]3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]P)(SCOO){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(C[6]C[6]2)	126.1540	0.000	1	126.1540	0.000	1	126.1540	0.000	1	126.1540	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:2:	3:3:1:	3:3:3:1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(PC[6a]2O)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(PC[6a]2O)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	124.0370	0.000	1	124.0370	0.000	1	124.0370	0.000	1	124.0370	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:2:	3:3:1:	3:3:3:2:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(PC[6a]2N)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	C[6](C[6]C[6]H)(PC[6a]2N)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	121.2425	0.046	2	121.2425	0.002	2	121.2425	0.002	2	121.2425	0.002	2	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:2:	3:3:1:	3:3:4:1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C-4:I-1:	C[6](C[6]C[6]H)(PC[6a]CI)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(I)	C[6](C[6]C[6]H)(PC[6a]CI)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(I)	119.1160	0.000	1	119.1160	0.000	1	119.1160	0.000	1	119.1160	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:2:	3:3:4:	3:3:3:4:	C[6]-3:P-4:P[6]-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:B-4:	C[6](C[6]C[6]C)(PC[6a]2B)(P[6]C[6])	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(BH3)	C[6](C[6]C[6]C)(PC[6a]2B)(P[6]C[6]){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|H<1>}	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(BH3)	120.8720	0.000	1	120.8720	0.000	1	120.8720	0.000	1	120.8720	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:4:	3:3:3:	3:3:3:1:	C[6]-3:C[6]-4:P-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P)	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P){1|C<4>,4|C<3>,5|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	124.8270	0.000	1	124.8270	0.000	1	124.8103	0.482	3	124.8103	0.482	3	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:4:	3:3:3:	3:3:3:1:	C[6]-3:C[6]-4:P-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P)	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P){1|O<2>,4|C<3>,5|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	125.4960	0.000	1	125.4960	0.000	1	124.8103	0.482	3	124.8103	0.482	3	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:4:	3:3:3:	3:3:3:1:	C[6]-3:C[6]-4:P-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]P)	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]P){1|O<2>,4|H<1>,5|C<3>}	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	124.1080	0.000	1	124.1080	0.000	1	124.8103	0.482	3	124.8103	0.482	3	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:4:	3:3:3:	3:3:3:2:	C[6]-3:P[6]-4:P-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:S-2:	C[6](C[6]C[6a]C[6])(P[6]C[6]CU)(PC[6a]2S)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(SU)	C[6](C[6]C[6a]C[6])(P[6]C[6]CU)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|C<4>,1|U<8>,2|H<1>,4|C<3>}	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(SU)	125.4610	1.557	4	125.7392	2.141	8	126.1510	4.503	20	126.1510	4.503	20	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:4:	3:3:3:	3:3:3:2:	C[6]-3:P[6]-4:P-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:S-2:	C[6](C[6]C[6a]C[6])(P[6]C[6]CU)(PC[6a]2S)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(SU)	C[6](C[6]C[6a]C[6])(P[6]C[6]CU)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|U<15>,1|C<4>,2|H<1>,4|C<3>}	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(SU)	127.2470	0.098	2	125.7392	2.141	8	126.1510	4.503	20	126.1510	4.503	20	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:4:	3:3:3:	3:3:3:2:	C[6]-3:P[6]-4:P-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:S-2:	C[6](C[6]C[6a]C[6])(P[6]C[6]CU)(PC[6a]2S)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(SU)	C[6](C[6]C[6a]C[6])(P[6]C[6]CU)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|U<16>,1|C<4>,2|H<1>,4|C<3>}	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(SU)	124.7880	1.020	2	125.7392	2.141	8	126.1510	4.503	20	126.1510	4.503	20	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:4:	3:3:3:	3:3:3:2:	C[6]-3:P[6]-4:P-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:S-2:	C[6](C[6]C[6a]C[6])(P[6]C[6]MnC)(PC[6a]2S)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(SMn)	C[6](C[6]C[6a]C[6])(P[6]C[6]MnC)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Mn<6>,1|C<4>,2|H<1>,4|C<3>}	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(SMn)	124.8755	2.894	2	124.8755	8.376	2	126.1510	4.503	20	126.1510	4.503	20	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:4:	3:3:3:	3:3:3:2:	C[6]-3:P[6]-4:P-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:S-2:	C[6](C[6]C[6a]C[6])(P[6]C[6]PdC)(PC[6a]2S)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(SPd)	C[6](C[6]C[6a]C[6])(P[6]C[6]PdC)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(SPd)	129.0710	0.651	4	129.0710	0.423	4	126.1510	4.503	20	126.1510	4.503	20	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	3:4:4:	3:3:3:	3:3:3:2:	C[6]-3:P[6]-4:P-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:S-2:	C[6](C[6]C[6a]C[6])(P[6]C[6]RhC)(PC[6a]2S)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(SRh)	C[6](C[6]C[6a]C[6])(P[6]C[6]RhC)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Rh<6>,1|C<4>,2|H<1>,4|C<3>}	P(C[6]C[6]P[6])(C[6a]C[6a]2)2(SRh)	125.1785	1.818	6	125.1785	3.305	6	126.1510	4.503	20	126.1510	4.503	20	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:2:	3:3:1:	3:3:2:2:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:Se-2:N-2:	C[6](PC[6a]SeN)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)(SeNi)(NP)	C[6](PC[6a]SeN)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)(SeNi)(NP)	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:2:	3:3:1:	3:3:3:3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6](PC[6a]2C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](PC[6a]2C[6])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)2	118.3080	0.000	1	118.3080	0.000	1	118.3080	0.000	1	118.3080	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:3:	3:2:1:	3:3:3:2:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6a]-3:C[6]-3:C[6]-3:S-2:	C[6](PC[6a]C[6]S)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H)	P(C[6a]C[6a]2)(C[6]C[6]2)2(SC[6a])	C[6](PC[6a]C[6]S)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)2(SC[6a])	120.3700	0.471	2	120.3700	0.222	2	120.3700	0.222	2	120.3700	0.222	2	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:3:	3:2:1:	3:3:3:3:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6](PC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H)	P(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](PC[6a]2C[6])(C[6]C[6]H)2{1|C<2>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)2	118.6140	0.000	1	118.6140	0.000	1	118.6140	0.000	1	118.6140	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:3:	3:2:1:	3:4:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-1:	C[6](PC[6a]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H)	P(C[6a]C[6a]2)(C[6]O[6]2H)(C[6]C[6]2)(O)	C[6](PC[6a]C[6]O)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]O[6]2H)(C[6]C[6]2)(O)	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:3:	3:3:1:	3:3:3:1:	P-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:O-1:	C[6](PC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(O)	C[6](PC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(O)	118.4055	1.189	6	118.4055	1.414	6	118.4055	1.414	6	118.4055	1.414	6	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:3:	3:3:1:	3:3:3:2:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:S-2:	C[6](PC[6a]C[6]S)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)2(SC[6a])	C[6](PC[6a]C[6]S)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)2(SC[6a])	120.2475	0.718	2	120.2475	0.515	2	120.2475	0.515	2	120.2475	0.515	2	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6](PC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](PC[6a]2C[6])(C[6]C[6]H)2{1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,1|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)2	121.2170	0.000	1	121.2170	0.000	1	121.2170	0.000	1	121.2170	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:3:	3:3:1:	3:3:3:4:	P-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6](PC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CCHH)	C[6](PC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CCHH)	121.9435	0.595	2	121.9435	0.354	2	121.9435	0.354	2	121.9435	0.354	2	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:3:	3:3:1:	3:4:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-1:	C[6](PC[6a]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)(C[6]O[6]2H)(C[6]C[6]2)(O)	C[6](PC[6a]C[6]O)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	P(C[6a]C[6a]2)(C[6]O[6]2H)(C[6]C[6]2)(O)	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:3:	3:3:1:	3:4:3:4:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6](PC[6a]C[6]C)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]2)(CC[5]HH)	C[6](PC[6a]C[6]C)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]2)(CC[5]HH)	120.6430	3.056	2	120.6430	9.340	2	120.6430	9.340	2	120.6430	9.340	2	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:3:	3:3:1:	4:3:3:2:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:O-2:	C[6](PC[5]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[5]C[5]2Fe)(C[6]C[6]2)2(OSn)	C[6](PC[5]C[6]O)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	P(C[5]C[5]2Fe)(C[6]C[6]2)2(OSn)	119.8798	1.689	4	119.8798	2.853	4	119.8798	2.853	4	119.8798	2.853	4	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:4:	3:3:1:	3:4:4:4:	C[6]-4:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:C-4:	C[6](C[6]C[6]LaO)(C[6]C[6]H)(PC3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6]C[6]2)(CCHH)(CC3)2	C[6](C[6]C[6]LaO)(C[6]C[6]H)(PC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|La<14>,1|C<3>,1|H<1>,1|O<2>}	P(C[6]C[6]2)(CCHH)(CC3)2	117.6650	0.000	1	117.6650	0.000	1	117.1905	0.450	2	117.1905	0.450	2	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:4:	3:3:1:	3:4:4:4:	C[6]-4:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:C-4:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(PC3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	P(C[6]C[6]2)(CZrOO)(CC3)2	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(PC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Zr<14>,1|C<3>,1|H<1>,1|O<2>}	P(C[6]C[6]2)(CZrOO)(CC3)2	116.7160	0.000	1	116.7160	0.000	1	117.1905	0.450	2	117.1905	0.450	2	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:4:	4:3:1:	3:4:2:1:	C[6]-4:C[6]-3:P-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(PCOO)	C[6](C[6]N[6]HH)(C[6]C[6]P)(H)	P(C[6]C[6]2)(CCHN)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PCOO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]P)(H){1|C<3>,1|C<4>,2|H<1>}	P(C[6]C[6]2)(CCHN)(OC)(O)	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	762	992	0:SP2_SP2_SP3	C[6]	C[6]	P	4:3:4:	4:3:1:	3:4:4:4:	C[6]-4:C[6]-3:P-4:	B[6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]B[6]H)(PC3)	C[6](B[6]C[6a]2C[6])(C[6]C[6]P)(H)	P(C[6]C[6]2)(CC3)3	C[6](C[6]C[6,6]HH)(C[6]B[6]H)(PC3){2|C<3>,3|C<4>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]P)(H){1|C<4>,4|C<3>,4|H<1>}	P(C[6]C[6]2)(CC3)3	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	120.9864	8.128	199	121.3174	10.866	208
762	770	856	0:SP2_SP2_SP2	C[6]	B	N[6]	3:3:3:	3:1:1:	3:4:3:	N[6]-3:N[6]-3:B-3:	C[6]-3:Br-1:Br-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])2(BBr2)	B(C[6]N[6]2)(Br)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])2(BBr2){1|C<4>,4|C<3>,4|H<1>}	B(C[6]N[6]2)(Br)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B){2|H<1>,3|C<3>,3|C<4>}	118.9185	0.604	4	118.9185	0.365	4	118.9185	0.365	4	118.9185	0.365	4	120.2209	5.462	10	120.2209	5.462	10
762	770	856	0:SP2_SP2_SP2	C[6]	B	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:N[6]-3:B-3:	C[6]-3:N-3:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])2(BClN)	B(C[6]N[6]2)(NCC)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])2(BClN){1|C<4>,2|O<1>,4|C<3>}	B(C[6]N[6]2)(NCC)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	120.4745	1.119	4	120.4745	1.252	4	120.4745	1.252	4	121.0892	7.350	6	120.2209	5.462	10	120.2209	5.462	10
762	770	856	0:SP2_SP2_SP2	C[6]	B	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:N[6]-3:B-3:	C[6a]-3:C[6]-3:Br-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])2(BC[6a]Br)	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])2(BC[6a]Br){1|C<4>,2|O<1>,4|C<3>}	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	122.3185	5.335	2	122.3185	28.464	2	122.3185	28.464	2	121.0892	7.350	6	120.2209	5.462	10	120.2209	5.462	10
762	778	856	0:SP2_SP2_SPD5	C[6]	C[3x3,3x5,12x6]	N[6]	5:3:3:	6:6:5:5:3:	3:3:1:	C[3x3,3x5,12x6]-5:C[6]-3:N[6]-3:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[6]C[6]N[6])	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|B<5>,1|C<3>,4|B<6>,6|H<1>}	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[6]C[6]N[6]){1|B<6>,2|C<3>,8|H<1>}	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1
762	786	786	0:SP2_SP3_SP3	C[6]	B[5]	B[5,6]	4:4:3:	3:3:2:2:	3:3:2:2:	B[5,6]-4:B[5]-4:N[6]-3:	C[6]-3:C[5]-3:O[5]-2:O[5]-2:	C[6]-3:N[6]-3:O[5]-2:O[5]-2:	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C)	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C){1|C<3>,1|H<1>,2|N<3>,5|C<4>}	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2{1|N<3>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	120.6560	0.088	2	120.6560	0.008	2	120.6560	0.008	2	120.6560	0.008	2	120.6560	0.008	2	120.6560	0.008	2
762	786	856	0:SP2_SP2_SP3	C[6]	B[5]	N[6]	4:4:3:	3:3:2:2:	3:3:4:	B[5,6]-4:B[5]-4:N[6]-3:	C[6]-3:C[5]-3:O[5]-2:O[5]-2:	C[6]-3:C[6]-3:C-4:	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C)	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH)	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C){1|C<3>,1|H<1>,2|N<3>,5|C<4>}	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2{1|N<3>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH){1|C<3>,1|H<1>,1|N<3>,4|O<2>}	120.0985	0.496	2	120.0985	0.246	2	120.0985	0.246	2	120.0985	0.246	2	120.0985	0.246	2	120.0985	0.246	2
762	786	856	6:SP2_SP2_SP3	C[6]	B[5,6]	N[6]	4:4:3:	3:3:2:2:	3:3:4:	B[5,6]-4:B[5]-4:N[6]-3:	C[6]-3:N[6]-3:O[5]-2:O[5]-2:	C[6]-3:C[6]-3:C-4:	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C)	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH)	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C){1|C<3>,1|H<1>,2|N<3>,5|C<4>}	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH){1|C<3>,1|H<1>,1|N<3>,4|O<2>}	119.0695	0.397	2	119.0695	0.157	2	119.0695	0.157	2	119.0695	0.157	2	119.0695	0.157	2	119.0695	0.157	2
762	790	818	0:SP2_SP-NON_SP2	C[6,6]	Cl	C[5,6,6]	4:3:1:	3:	4:3:3:	C[3x6]-4:C[5,6,6]-3:Cl-1:	C[6,6]-3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[5])(Cl)	Cl(C[6,6]C[5,6,6]C[3x6])	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O)	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[5])(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	Cl(C[6,6]C[5,6,6]C[3x6])	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	124.9820	0.018	2	124.9820	0.000	2	124.9820	0.000	2	124.9820	0.000	2	124.9820	0.000	2	120.0730	2.920	25
762	790	818	0:SP2_SP-NON_SP2	C[6]	Cl	C[5,6]	3:2:1:	3:	3:3:2:	C[5,6]-3:N[6]-2:Cl-1:	C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(Cl)	Cl(C[6]C[5,6]N[6])	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(Cl){1|C<3>,1|N<2>,2|N<3>}	Cl(C[6]C[5,6]N[6])	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]){1|Rh<5>,1|C<3>,1|H<1>}	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	119.6462	0.804	23	120.0730	2.920	25
762	790	818	0:SP2_SP-NON_SP2	C[6]	Cl	C[5,6]	3:3:1:	3:	3:3:2:	C[5,6]-3:C[5,6]-3:Cl-1:	C[6]-3:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(Cl)	Cl(C[6]C[5,6]2)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]Cl)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(Cl){1|C<3>,2|N<2>,2|S<2>}	Cl(C[6]C[5,6]2)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]Cl)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	119.4630	0.885	2	119.4630	0.784	2	119.3993	0.181	9	119.3249	0.352	17	119.6462	0.804	23	120.0730	2.920	25
762	790	818	0:SP2_SP-NON_SP2	C[6]	Cl	C[5,6]	3:3:1:	3:	3:3:2:	C[5,6]-3:C[5,6]-3:Cl-1:	C[6]-3:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(Cl)	Cl(C[6]C[5,6]2)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(S[5]Se[5])	C[6](C[5,6]C[5,6]S[5])2(Cl){2|Se<2>,1|N<3>,2|N<2>}	Cl(C[6]C[5,6]2)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(S[5]Se[5]){1|C<3>,1|C<4>,1|S<2>}	119.3811	0.330	7	119.3811	0.109	7	119.3993	0.181	9	119.3249	0.352	17	119.6462	0.804	23	120.0730	2.920	25
762	790	818	0:SP2_SP-NON_SP2	C[6]	Cl	C[5,6]	3:3:1:	3:	3:3:2:	C[5,6]-3:C[5,6]-3:Cl-1:	C[6]-3:	C[5,6]-3:C[6]-3:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])2(Cl)	Cl(C[6]C[5,6]2)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]S[5])	C[6](C[5,6]C[5,6]Se[5])2(Cl){1|N<3>,2|N<2>,2|S<2>}	Cl(C[6]C[5,6]2)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]S[5]){1|Se<2>,1|C<3>,1|C<4>}	119.6610	0.094	3	119.6610	0.009	3	119.4230	0.370	7	119.3249	0.352	17	119.6462	0.804	23	120.0730	2.920	25
762	790	818	0:SP2_SP-NON_SP2	C[6]	Cl	C[5,6]	3:3:1:	3:	3:3:2:	C[5,6]-3:C[5,6]-3:Cl-1:	C[6]-3:	C[5,6]-3:C[6]-3:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])2(Cl)	Cl(C[6]C[5,6]2)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]Se[5])	C[6](C[5,6]C[5,6]Se[5])2(Cl){2|Se<2>,1|N<3>,2|N<2>}	Cl(C[6]C[5,6]2)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	119.2445	0.797	4	119.2445	0.636	4	119.4230	0.370	7	119.3249	0.352	17	119.6462	0.804	23	120.0730	2.920	25
762	790	818	0:SP2_SP-NON_SP2	C[6]	Cl	C[5,6]	3:3:1:	3:	3:3:2:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:	N[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl)	Cl(C[6]C[5,6]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Cl(C[6]C[5,6]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	117.9690	0.000	1	117.9690	0.000	1	117.9690	0.000	1	119.3249	0.352	17	119.6462	0.804	23	120.0730	2.920	25
762	790	818	0:SP2_SP-NON_SP2	C[6]	Cl	C[5,6]	3:3:1:	3:	3:3:3:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl)	Cl(C[6]C[5,6]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]C[5]Re)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl){1|Cl<1>,1|Re<6>,3|C<3>}	Cl(C[6]C[5,6]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]C[5]Re){1|C<4>,2|C<3>,2|H<1>}	119.3970	0.000	1	119.3970	0.000	1	119.3970	0.000	1	119.8560	0.421	2	119.6462	0.804	23	120.0730	2.920	25
762	790	818	0:SP2_SP-NON_SP2	C[6]	Cl	C[5,6]	3:3:1:	3:	3:3:3:	C[5,6]-3:N[6]-3:Cl-1:	C[6]-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl)	Cl(C[6]C[5,6]N[6])	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl){1|C<3>,2|H<1>,2|N<3>}	Cl(C[6]C[5,6]N[6])	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	120.3150	0.000	1	120.3150	0.000	1	120.3150	0.000	1	119.8560	0.421	2	119.6462	0.804	23	120.0730	2.920	25
762	790	818	0:SP2_SP-NON_SP2	C[6]	Cl	C[5,6]	3:3:1:	3:	4:3:2:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6,6]O)(Cl)	Cl(C[6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[6]C[6]Cl)(O[5]C[5])	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6,6]O)(Cl){1|C<3>,1|H<1>,4|C<4>}	Cl(C[6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[6]C[6]Cl)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	121.1530	0.000	1	121.1530	0.000	1	121.5365	0.294	2	121.5365	0.294	2	119.6462	0.804	23	120.0730	2.920	25
762	790	818	0:SP2_SP-NON_SP2	C[6]	Cl	C[5,6]	3:3:1:	3:	4:3:2:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(Cl)	Cl(C[6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]Cl)(O[5]C[5])	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,3|C<4>}	Cl(C[6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]Cl)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	121.9200	0.000	1	121.9200	0.000	1	121.5365	0.294	2	121.5365	0.294	2	119.6462	0.804	23	120.0730	2.920	25
762	790	818	0:SP2_SP-NON_SP2	C[6]	Cl	C[5,6]	3:4:1:	3:	4:4:3:	C[5,6]-3:C[6]-4:Cl-1:	C[6]-3:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[5,6]ClH)(Cl)	Cl(C[6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]Cl)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[5,6]ClH)(Cl){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	Cl(C[6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]Cl){10|H<1>,1|Cl<1>,1|C<3>,3|C<4>}	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	119.6462	0.804	23	120.0730	2.920	25
762	790	849	0:SP2_SP-NON_SP3	C[6]	Cl	P[6]	4:4:1:	3:	3:3:3:3:	P[6]-4:P[6]-4:Cl-1:	C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](P[6]C[6a]2N[6])2(Cl)	Cl(C[6]P[6]2)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]Cl)	C[6](P[6]C[6a]2N[6])2(Cl){10|C<3>,1|B<4>}	Cl(C[6]P[6]2)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]Cl){1|N<3>,6|H<1>,8|C<3>}	114.4445	1.122	2	114.4445	1.259	2	114.4445	1.259	2	114.4445	1.259	2	114.4445	1.259	2	114.4445	1.259	2
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6,6]	3:3:1:	3:	3:4:3:	N[6,6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(Cl)	Cl(C[6]N[6,6]C[6])	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	Cl(C[6]N[6,6]C[6])	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl){2|H<1>,3|C<3>}	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	116.7760	8.862	2	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6,6]	3:3:1:	3:	4:4:3:	N[6,6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl)	Cl(C[6]N[6,6]C[6])	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl){3|C<4>,5|H<1>}	Cl(C[6]N[6,6]C[6])	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl){1|C<3>,4|C<4>,4|H<1>}	114.6710	0.000	1	114.6710	0.000	1	114.6710	0.000	1	114.6710	0.000	1	116.7760	8.862	2	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:2:1:	N[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](N[6]N[6]H)(N[6]C[6])(Cl)	Cl(C[6]N[6]2)	N[6](C[6]N[6]Cl)(N[6]C[6])(H)	C[6](N[6]N[6]H)(N[6]C[6])(Cl){1|C<4>,2|C<3>}	Cl(C[6]N[6]2)	N[6](C[6]N[6]Cl)(N[6]C[6])(H){1|C<3>,1|C<4>}	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:3:	N[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(Cl)	Cl(C[6]N[6]2)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]Cl)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(Cl){1|N<3>,4|C<3>}	Cl(C[6]N[6]2)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]Cl){2|H<1>,4|C<3>}	115.1780	0.000	1	115.1780	0.000	1	115.1780	0.000	1	115.1780	0.000	1	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:1:	C[5,6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl)	Cl(C[6]C[5,6]N[6])	N[6](C[6]C[5,6]Cl)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl){1|C<3>,2|H<1>,2|N<3>}	Cl(C[6]C[5,6]N[6])	N[6](C[6]C[5,6]Cl)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.0510	0.000	1	118.0510	0.000	1	118.0510	0.000	1	116.6483	0.776	22	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	116.7574	0.506	8	116.7574	0.256	8	116.7577	0.577	15	116.6483	0.776	22	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	115.4000	0.000	1	115.4000	0.000	1	116.7577	0.577	15	116.6483	0.776	22	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	115.5510	0.000	1	115.5510	0.000	1	116.7577	0.577	15	116.6483	0.776	22	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	117.8540	0.000	1	117.2710	0.415	5	116.7577	0.577	15	116.6483	0.776	22	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.1252	0.642	4	117.2710	0.415	5	116.7577	0.577	15	116.6483	0.776	22	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	115.5875	0.110	2	115.5875	0.012	2	116.1410	0.906	6	116.6483	0.776	22	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	115.9990	0.000	1	115.9990	0.000	1	116.1410	0.906	6	116.6483	0.776	22	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	115.8095	0.107	2	115.8095	0.011	2	116.1410	0.906	6	116.6483	0.776	22	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(N[6]C[6]O)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(N[6]C[6]O)(Cl){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	118.0530	0.000	1	118.0530	0.000	1	116.1410	0.906	6	116.6483	0.776	22	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)2(BCl2)	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)2(BCl2){1|C<3>,2|H<1>}	115.6900	0.023	2	115.6900	0.001	2	115.6900	0.001	2	115.6900	0.001	2	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:4:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	118.1340	0.000	1	118.1340	0.000	1	117.9793	0.494	6	117.9793	0.494	6	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:4:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	118.0890	0.694	3	117.9484	0.610	5	117.9793	0.494	6	117.9793	0.494	6	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:4:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|Ni<4>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	116.9230	0.000	1	117.9484	0.610	5	117.9793	0.494	6	117.9793	0.494	6	116.6650	1.610	32	116.6716	1.781	34
762	790	856	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:3:1:	3:	3:3:4:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	118.5520	0.000	1	117.9484	0.610	5	117.9793	0.494	6	117.9793	0.494	6	116.6650	1.610	32	116.6716	1.781	34
762	790	914	0:SP2_SP-NON_SP2	C[6,6]	Cl	N[6,6]	4:2:1:	3:	4:3:	C[3x6]-4:N[6,6]-2:Cl-1:	C[6,6]-3:	C[3x6]-4:C[6,6]-3:	C[6,6](C[3x6]C[5,6,6]2Cl)(N[6,6]C[3x6])(Cl)	Cl(C[6,6]C[3x6]N[6,6])	N[6,6](C[3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]Cl)	C[6,6](C[3x6]C[5,6,6]2Cl)(N[6,6]C[3x6])(Cl){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	Cl(C[6,6]C[3x6]N[6,6])	N[6,6](C[3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]Cl){1|Cl<1>,2|H<1>,4|C<4>}	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	2:2:1:	3:	3:3:	N[6]-2:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6])(N[6]P[6])(Cl)	Cl(C[6]N[6]2)	N[6](C[6]N[6]Cl)2	C[6](N[6]C[6])(N[6]P[6])(Cl){1|Cl<1>,3|N<2>}	Cl(C[6]N[6]2)	N[6](C[6]N[6]Cl)2{1|P<4>}	110.8390	0.283	2	110.8390	0.080	2	114.2733	3.329	10	114.2733	3.329	10	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	2:2:1:	3:	3:3:	N[6]-2:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6])(N[6]S[6])(Cl)	Cl(C[6]N[6]2)	N[6](C[6]N[6]Cl)2	C[6](N[6]C[6])(N[6]S[6])(Cl){2|Cl<1>,1|N<2>,1|O<1>}	Cl(C[6]N[6]2)	N[6](C[6]N[6]Cl)2{1|S<4>}	115.1319	0.238	8	115.1319	0.057	8	114.2733	3.329	10	114.2733	3.329	10	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	2:2:1:	3:	4:3:	N[6]-2:N[6]-2:Cl-1:	C[6]-3:	P[6]-4:C[6]-3:	C[6](N[6]C[6])(N[6]P[6])(Cl)	Cl(C[6]N[6]2)	N[6](P[6]N[6]NN)(C[6]N[6]Cl)	C[6](N[6]C[6])(N[6]P[6])(Cl){1|Cl<1>,3|N<2>}	Cl(C[6]N[6]2)	N[6](P[6]N[6]NN)(C[6]N[6]Cl){1|C<3>}	115.5495	0.039	2	115.5495	0.002	2	115.5495	0.002	2	114.5756	0.368	10	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	2:2:1:	3:	4:3:	N[6]-2:N[6]-2:Cl-1:	C[6]-3:	S[6]-4:C[6]-3:	C[6](N[6]C[6])(N[6]S[6])(Cl)	Cl(C[6]N[6]2)	N[6](S[6]N[6]ClO)(C[6]N[6]Cl)	C[6](N[6]C[6])(N[6]S[6])(Cl){2|Cl<1>,1|N<2>,1|O<1>}	Cl(C[6]N[6]2)	N[6](S[6]N[6]ClO)(C[6]N[6]Cl){1|C<3>}	114.3321	0.367	8	114.3321	0.135	8	114.3321	0.135	8	114.5756	0.368	10	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:2:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:S[6]-2:	C[6](C[6]C[6]N)(N[6]S[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(S[6]N[6])	C[6](C[6]C[6]N)(N[6]S[6])(Cl){1|Cl<1>,1|N<2>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(S[6]N[6]){1|C<3>,1|N<2>}	115.7160	1.000	2	115.7160	1.000	2	115.7160	1.000	2	115.7160	1.000	2	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[5,6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(Cl)	Cl(C[6]C[5,6]N[6])	N[6](C[6]C[5,6]Cl)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(Cl){1|C<3>,1|N<2>,2|N<3>}	Cl(C[6]C[5,6]N[6])	N[6](C[6]C[5,6]Cl)(C[6]N[6]N){1|Rh<5>,1|C<3>,1|N<2>}	117.9730	0.000	1	117.9730	0.000	1	117.9730	0.000	1	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[5a,6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(Cl)	Cl(C[6]C[5a,6]N[6])	N[6](C[6]C[5a,6]Cl)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(Cl){1|C<3>,2|H<1>,2|N<3>}	Cl(C[6]C[5a,6]N[6])	N[6](C[6]C[5a,6]Cl)(C[6]N[6]H){1|Ru<9>,2|C<3>}	116.8940	0.000	1	116.8940	0.000	1	116.8940	0.000	1	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]N[6,6]H)(C[6]C[6]Cl)	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]N[6])	N[6](C[6]N[6,6]H)(C[6]C[6]Cl){1|B<4>,1|C<3>,1|H<1>}	115.2914	0.514	13	115.2914	0.264	13	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]O)	C[6](C[6]C[6]C)(N[6]C[6])(Cl){1|N<3>,2|O<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	111.6033	0.399	4	111.6033	0.159	4	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]O)	C[6](C[6]C[6]Cl)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]O){2|Cl<1>,1|C<3>}	115.2790	0.392	2	115.2790	0.153	2	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|C<4>,1|H<1>,1|N<3>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	115.3990	0.000	1	115.8080	0.335	2	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|H<1>,2|N<3>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]H){1|Ru<6>,1|C<3>,1|H<1>}	116.2170	0.000	1	115.8080	0.335	2	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|N<1>,2|N<3>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]N){1|C<3>,2|H<1>}	114.0620	0.000	1	114.5503	0.408	9	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|N<2>,1|N<3>,1|O<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]N){1|C<3>,1|H<1>}	114.4010	0.000	1	114.5503	0.408	9	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(Cl){3|N<3>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]N){1|C<3>,2|H<1>}	114.1317	0.368	4	114.5503	0.408	9	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(Cl){3|N<3>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]N){1|Fe<5>,1|C<3>,1|H<1>}	115.3660	0.322	2	114.5503	0.408	9	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(Cl){3|N<3>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]N){1|Fe<6>,1|C<3>,1|H<1>}	115.2310	0.000	1	114.5503	0.408	9	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|N<3>,2|O<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]N[6]O){1|C<3>,2|H<1>}	113.1950	0.355	2	113.1950	0.126	2	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]N[6]C)(N[6]C[6])(Cl){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	115.9730	0.000	1	115.9730	0.000	1	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H){1|N<3>,2|H<1>}	116.2130	0.000	1	116.8247	0.189	4	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Co<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H){1|N<3>,2|H<1>}	117.2430	0.000	1	116.8247	0.189	4	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Fe<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H){1|N<3>,2|H<1>}	116.9310	0.000	1	116.8247	0.189	4	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Ni<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(C[6]C[6]H){1|N<3>,2|H<1>}	116.9120	0.000	1	116.8247	0.189	4	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)2	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Cl<1>,1|Zn<4>,1|C<3>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)2{1|N<3>,2|H<1>}	117.2649	0.576	12	117.2649	0.331	12	115.4116	2.840	49	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:N[6]-3:	C[6](C[6]C[6]H)(N[6]N[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]N[6])(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(N[6]C[6]C){1|Pd<4>,1|C<3>,1|H<1>}	115.7600	0.000	1	115.7600	0.000	1	115.6640	0.018	2	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:N[6]-3:	C[6](C[6]C[6]H)(N[6]N[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]N[6])(Cl){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	115.5680	0.000	1	115.5680	0.000	1	115.6640	0.018	2	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	3:3:	N[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(Cl)	Cl(C[6]N[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Cl)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(Cl){1|N<3>,4|C<3>}	Cl(C[6]N[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Cl){1|H<1>,4|C<3>}	117.8160	0.000	1	117.8160	0.000	1	117.8160	0.000	1	115.5404	2.832	54	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	3:2:1:	3:	4:3:	N[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6]-4:C[6]-3:	C[6](N[6]N[6]H)(N[6]C[6])(Cl)	Cl(C[6]N[6]2)	N[6](C[6]C[6a]C[6]C)(C[6]N[6]Cl)	C[6](N[6]N[6]H)(N[6]C[6])(Cl){1|C<4>,2|C<3>}	Cl(C[6]N[6]2)	N[6](C[6]C[6a]C[6]C)(C[6]N[6]Cl){1|H<1>,1|N<2>,3|C<3>}	119.5270	0.000	1	119.5270	0.000	1	119.5270	0.000	1	119.5270	0.000	1	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	4:2:1:	3:	3:2:	C[6]-4:N[6]-2:Cl-1:	C[6]-3:	C[6]-3:O[6]-2:	C[6](C[6]C[5,6]C[6a]H)(N[6]O[6])(Cl)	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(O[6]C[5,6])	C[6](C[6]C[5,6]C[6a]H)(N[6]O[6])(Cl){1|H<1>,2|C<3>,2|C<4>}	Cl(C[6]C[6]N[6])	N[6](C[6]C[6]Cl)(O[6]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	115.2881	2.840	80	115.3452	3.069	81
762	790	914	0:SP2_SP-NON_SP2	C[6]	Cl	N[6]	4:2:1:	3:	3:3:	C[3,6]-4:N[6]-2:Cl-1:	C[6]-3:	N[5a,6]-3:C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(N[6]N[5a,6])(Cl)	Cl(C[6]C[3,6]N[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[3,6]Cl)	C[6](C[3,6]C[3,6]C[3]H)(N[6]N[5a,6])(Cl){2|H<1>,3|C<3>}	Cl(C[6]C[3,6]N[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[3,6]Cl){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,2|C<4>}	115.3925	0.260	2	115.3925	0.067	2	115.3925	0.067	2	115.3925	0.067	2	115.2881	2.840	80	115.3452	3.069	81
762	811	914	6:SP2_SP2_SP3	C[6,6]	B[6,6,6a]	N[6,6]	4:2:3:	3:3:3:3:	4:3:	B[6,6,6a]-4:N[6,6]-2:C[6a]-3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:C[6,6]-3:	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(N[6,6]B[6,6,6a])(C[6a]C[6a]2)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2)	N[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a])	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(N[6,6]B[6,6,6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	N[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]){2|N<3>,7|C<3>}	118.6300	0.000	1	118.6300	0.000	1	118.6300	0.000	1	118.6300	0.000	1	118.6300	0.000	1	118.6300	0.000	1
762	811	930	0:SP2_SP2_SP3	C[6,6]	B[6,6,6a]	C	4:4:3:	3:3:3:3:	3:1:1:	B[6,6,6a]-4:C[6,6]-4:C-3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:H-1:H-1:	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2)	C(C[6,6]B[6,6,6a]C[6,6])(H)2	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH){2|N<3>,9|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C(C[6,6]B[6,6,6a]C[6,6])(H)2	124.2635	1.182	2	124.2635	1.396	2	124.2635	1.396	2	124.2635	1.396	2	124.2635	1.396	2	124.2635	1.396	2
762	813	813	6:SP2_SP2_SP3	C[6]	N[5a,6]	N[5a,6]	3:3:1:	3:3:3:	3:3:3:	N[5a,6]-3:N[5a,6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])2(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])2(O){7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O){1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1
762	813	856	0:SP2_SP2_SP2	C[6]	N[5a,6]	N[6]	3:3:2:	3:2:3:	3:4:4:	N[5a,6]-3:N[6]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-4:C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]2)(N[6]S[6])	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2)	N[6](C[6]N[5a,6]N[6])(C[6]C[6]HH)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2){1|H<1>,1|S<4>,3|C<4>}	N[6](C[6]N[5a,6]N[6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,4|H<1>}	121.6105	0.732	2	121.6105	0.536	2	121.6105	0.536	2	121.6105	0.536	2	121.6105	0.536	2	116.2887	11.397	9
762	813	856	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:2:3:	3:2:1:	N[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[6](C[6]N[5a]N[6])(N[6]C[6])(H)	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[5a]N[6])(N[6]C[6])(H){1|C<3>,1|N<2>,2|N<3>}	116.4905	0.315	2	116.4905	0.099	2	116.4905	0.099	2	116.4905	0.099	2	114.7681	2.969	7	116.2887	11.397	9
762	813	856	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:2:3:	3:3:1:	N[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[6](C[6]N[5a]N[6])2(H)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	N[6](C[6]N[5a]N[6])2(H){1|P<4>,2|C<3>,2|N<2>}	112.5640	0.294	2	112.5640	0.087	2	112.5640	0.087	2	112.5640	0.087	2	114.7681	2.969	7	116.2887	11.397	9
762	813	856	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:3:3:	3:3:1:	N[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6])	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(C[6]N[6]2)	N[6](C[6]N[5a]N[6])(C[6]C[6]C)(H)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(C[6]N[6]2){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]N[5a]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	115.6070	0.250	2	115.6070	0.063	2	115.6070	0.063	2	115.6070	0.063	2	114.7681	2.969	7	116.2887	11.397	9
762	813	856	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H)	N[6](C[6]N[5a]C[6])(C[6]C[6]N[5])(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>}	N[6](C[6]N[5a]C[6])(C[6]C[6]N[5])(H){2|H<1>,5|C<3>}	114.0540	0.000	1	114.0540	0.000	1	114.0540	0.000	1	114.0540	0.000	1	114.7681	2.969	7	116.2887	11.397	9
762	813	856	6:SP2_SP2_SP2	C[6,6]	N[5a,6]	N[6,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H)	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	115.4340	0.000	1	115.4340	0.000	1	115.4340	0.000	1	115.4340	0.000	1	116.8013	2.020	3	114.6569	5.597	7
762	813	856	6:SP2_SP2_SP2	C[6,6]	N[5a,6]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])(C[5a]N[5a]H)	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])(C[5a]N[5a]H){2|H<1>,4|C<3>}	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	117.4850	1.236	2	116.8013	2.020	3	114.6569	5.597	7
762	813	856	6:SP2_SP2_SP2	C[6,6]	N[5a,6]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H){2|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6]){3|H<1>,6|C<3>}	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	117.4850	1.236	2	116.8013	2.020	3	114.6569	5.597	7
762	813	856	6:SP2_SP2_SP2	C[6]	N[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	N[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H){1|H<1>,4|C<3>}	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.0485	1.799	4	114.6569	5.597	7
762	813	856	6:SP2_SP2_SP2	C[6]	N[5a,6]	N[6]	3:3:1:	3:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	113.0485	1.799	4	114.6569	5.597	7
762	813	856	6:SP2_SP2_SP2	C[6]	N[5a,6]	N[6]	3:3:1:	3:3:3:	3:4:2:	N[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC){1|H<1>,3|C<3>}	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	113.0485	1.799	4	114.6569	5.597	7
762	813	856	6:SP2_SP2_SP2	C[6]	N[5a,6]	N[6]	3:3:2:	3:3:3:	3:3:3:	N[5a,6]-3:N[6]-3:N-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]N[6]N)	N[6](C[6]N[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]N)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a]){1|N<3>,2|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]N[6]N){1|H<1>,4|C<3>}	N[6](C[6]N[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]N){2|H<1>,4|C<3>}	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	113.0485	1.799	4	114.6569	5.597	7
762	813	856	6:SP2_SP2_SP3	C[6]	N[5a,6]	N[6]	3:3:1:	3:3:3:	4:3:2:	N[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-2:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O){2|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC){1|H<1>,1|N<3>,4|C<3>}	113.4380	0.000	1	113.4380	0.000	1	113.4380	0.000	1	113.4380	0.000	1	113.4380	0.000	1	113.4380	0.000	1
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:2:1:	3:3:3:	3:	N[5a,6]-3:N[6]-2:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6])(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]N[6]O)	O(C[6]N[5a,6]N[6])	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]N[6]O){1|C<4>,3|H<1>}	O(C[6]N[5a,6]N[6])	120.2590	0.000	1	120.2590	0.000	1	120.2590	0.000	1	120.2590	0.000	1	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(O)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	O(C[6]C[5a,6]N[5a,6])	C[6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(O){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|C<4>}	O(C[6]C[5a,6]N[5a,6])	120.8690	0.000	1	120.8690	0.000	1	120.8690	0.000	1	122.1184	3.243	12	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(O)	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	O(C[6]C[6,6a]N[5a,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(O){1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]N[5a,6])	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	122.1184	3.243	12	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5a,6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(O)	N[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6,6a]O)	O(C[6]C[6,6a]N[5a,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(O){1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,6|C<3>}	O(C[6]C[6,6a]N[5a,6])	121.8200	0.000	1	121.8200	0.000	1	121.8200	0.000	1	122.1184	3.243	12	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]N[5a,6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	O(C[6]C[6,6a]N[5a,6])	121.2040	0.000	1	121.2040	0.000	1	120.2520	1.813	2	122.1184	3.243	12	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]N[5a,6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]O){1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[5a,6])	119.3000	0.000	1	119.3000	0.000	1	120.2520	1.813	2	122.1184	3.243	12	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(O){1|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O(C[6]N[5a,6]C[6])	123.7680	0.048	2	123.7680	0.002	2	123.7680	0.002	2	122.1184	3.243	12	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:3:1:	3:3:3:	3:	N[5a,6]-3:N[5a,6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])2(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O)	O(C[6]N[5a,6]2)	C[6](N[5a,6]C[5a,6]C[5a])2(O){7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O){1|N<2>,2|H<1>,4|C<3>}	O(C[6]N[5a,6]2)	125.9350	0.000	1	125.9350	0.000	1	125.9350	0.000	1	122.1184	3.243	12	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:3:1:	3:3:3:	3:	N[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O)	O(C[6]N[5a,6]N[6])	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O){1|H<1>,5|C<3>}	O(C[6]N[5a,6]N[6])	122.4840	0.000	1	122.4840	0.000	1	122.4840	0.000	1	122.1184	3.243	12	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:3:1:	3:3:3:	3:	N[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O)	O(C[6]N[5a,6]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O){2|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]N[5a,6]N[6])	122.1190	0.000	1	122.1190	0.000	1	121.9793	0.931	3	122.1184	3.243	12	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:3:1:	3:3:3:	3:	N[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	O(C[6]N[5a,6]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]N[5a,6]N[6])	120.9520	0.000	1	120.9520	0.000	1	121.9793	0.931	3	122.1184	3.243	12	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:3:1:	3:3:3:	3:	N[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	O(C[6]N[5a,6]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]N[5a,6]N[6])	122.8670	0.000	1	122.8670	0.000	1	121.9793	0.931	3	122.1184	3.243	12	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:2:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6]N[5a,6]C[6])	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6,6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O)	O(C[6]N[5a,6]C[6,6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O){2|C<3>,3|H<1>,4|C<4>}	O(C[6]N[5a,6]C[6,6])	121.6070	0.000	1	121.6070	0.000	1	121.6070	0.000	1	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[5,6,6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[5,6,6]HH)(O){3|C<3>,3|C<4>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]N[5a,6]C[6])	121.5500	0.638	2	121.5500	0.407	2	121.5763	0.491	8	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O){2|C<4>,4|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]N[5a,6]C[6])	122.5455	0.018	2	122.1690	0.425	3	121.5763	0.491	8	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O){3|C<3>,3|C<4>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]N[5a,6]C[6])	121.4160	0.000	1	122.1690	0.425	3	121.5763	0.491	8	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]N[5a,6]C[6])	121.2810	0.000	1	121.0010	0.065	3	121.5763	0.491	8	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	O(C[6]N[5a,6]C[6])	120.8610	0.109	2	121.0010	0.065	3	121.5763	0.491	8	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]O[6]HH)(O)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]O[6]HH)(O){4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	O(C[6]N[5a,6]C[6])	124.1210	0.000	1	124.1210	0.000	1	124.1210	0.000	1	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6]N[5a,6]C[6])	120.3180	0.000	1	120.3180	0.000	1	120.3180	0.000	1	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,2|C<4>,5|C<3>}	O(C[6]N[5a,6]C[6])	120.8705	0.461	4	120.9676	0.207	5	121.0956	0.782	24	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,3|C<4>,4|C<3>}	O(C[6]N[5a,6]C[6])	121.3560	0.000	1	120.9676	0.207	5	121.0956	0.782	24	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,4|C<3>}	O(C[6]N[5a,6]C[6])	120.2650	0.541	3	120.2650	0.293	3	121.0956	0.782	24	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(O){1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){3|H<1>,4|C<3>}	O(C[6]N[5a,6]C[6])	120.8330	0.226	2	120.8330	0.051	2	121.0956	0.782	24	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6]N[5a,6]C[6])	122.8980	0.570	2	122.8980	0.325	2	121.0956	0.782	24	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	O(C[6]N[5a,6]C[6])	120.6485	0.408	2	120.8241	0.061	7	121.0956	0.782	24	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	O(C[6]N[5a,6]C[6])	120.6240	0.000	1	120.8241	0.061	7	121.0956	0.782	24	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	O(C[6]N[5a,6]C[6])	120.9545	0.138	2	120.8241	0.061	7	121.0956	0.782	24	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]N[5a,6]C[6])	120.9695	0.023	2	120.8241	0.061	7	121.0956	0.782	24	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]N[5a,6]C[6])	120.5590	0.431	2	120.5590	0.186	2	121.0956	0.782	24	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]N[5a,6]C[6])	120.7560	0.000	1	120.7560	0.000	1	121.0956	0.782	24	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP2	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(O){1|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[6]N[5a,6]C[6])	122.7780	0.000	2	122.7780	0.000	2	121.0956	0.782	24	121.2843	0.943	35	121.4458	1.604	49	121.4458	1.604	49
762	813	863	0:SP2_SP2_SP3	C[6]	N[5a,6]	O	3:3:1:	3:3:3:	3:	N[5a,6]-3:N[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])2(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C)	O(C[6]N[5a,6]2)	C[6](N[5a,6]C[5a,6]C[5a])2(O){7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	O(C[6]N[5a,6]2)	123.6460	0.000	1	123.6460	0.000	1	123.6460	0.000	1	123.6460	0.000	1	122.7170	1.726	2	122.7170	1.726	2
762	813	863	0:SP2_SP2_SP3	C[6]	N[5a,6]	O	3:4:1:	3:3:3:	3:	N[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	O(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){3|C<4>,5|C<3>}	O(C[6]N[5a,6]C[6])	121.7880	0.000	1	121.7880	0.000	1	121.7880	0.000	1	121.7880	0.000	1	122.7170	1.726	2	122.7170	1.726	2
762	813	904	0:SP2_SP-NON_SP2	C[6]	N[5a]	P[6]	3:2:2:	3:3:2:	3:3:	N[5a]-3:N[6]-2:P[6]-2:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:	C[6](N[5a]C[5a]N[5a])(N[6]N[6])(P[6]C[6])	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a])	P[6](C[6]N[5a]N[6])(C[6]C[6]O)	C[6](N[5a]C[5a]N[5a])(N[6]N[6])(P[6]C[6]){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	P[6](C[6]N[5a]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,2|N<2>}	115.8660	0.000	1	115.8660	0.000	1	115.8660	0.000	1	115.8660	0.000	1	115.8660	0.000	1	115.8660	0.000	1
762	813	909	0:SP2_SP2_SP2	C[6]	N[5a,6]	S	3:3:2:	3:3:3:	3:3:	N[5a,6]-3:C[6]-3:S-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a])	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S)	S(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S){2|H<1>,3|C<3>}	S(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	118.8935	0.723	2	118.8935	0.523	2	118.8935	0.523	2	118.8935	0.523	2	118.8935	0.523	2	118.8935	0.523	2
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:2:2:	3:2:3:	3:3:	N[5a]-3:N[6]-2:N[6]-2:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[5a]C[5a]N[5a])(N[6]C[6])(N[6]P[6])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[6](C[6]N[5a]N[6])(C[6]N[6]N)	C[6](N[5a]C[5a]N[5a])(N[6]C[6])(N[6]P[6]){1|C<4>,1|N<2>,2|C<3>,3|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](C[6]N[5a]N[6])(C[6]N[6]N){1|C<3>,1|N<2>,1|P<4>}	114.8500	0.000	1	114.8500	0.000	1	114.8500	0.000	1	114.8500	0.000	1	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:2:2:	3:2:3:	4:3:	N[5a]-3:N[6]-2:N[6]-2:	C[5a]-3:N[5a]-2:C[6]-3:	P[6]-4:C[6]-3:	C[6](N[5a]C[5a]N[5a])(N[6]C[6])(N[6]P[6])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[6](P[6]N[5a]2N[6])(C[6]N[5a]N[6])	C[6](N[5a]C[5a]N[5a])(N[6]C[6])(N[6]P[6]){1|C<4>,1|N<2>,2|C<3>,3|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](P[6]N[5a]2N[6])(C[6]N[5a]N[6]){3|N<2>,4|C<3>}	114.4190	0.000	1	114.4190	0.000	1	114.4190	0.000	1	114.4190	0.000	1	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:2:2:	3:3:2:	3:2:	N[5a]-3:N[6]-2:P[6]-2:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:	C[6](N[5a]C[5a]N[5a])(N[6]N[6])(P[6]C[6])	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a])	N[6](C[6]N[5a]P[6])(N[6]C[6])	C[6](N[5a]C[5a]N[5a])(N[6]N[6])(P[6]C[6]){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[6]N[5a]P[6])(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>}	113.3860	0.000	1	113.3860	0.000	1	113.3860	0.000	1	113.3860	0.000	1	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:2:2:	3:3:3:	3:2:	N[5a]-3:C[6]-2:N[6]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:C[6]-2:	C[6](N[5a]C[5a,6a]2)(C[6]N[6])(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	N[6](C[6]N[5a]C[6])(C[6]C[6])	C[6](N[5a]C[5a,6a]2)(C[6]N[6])(N[6]C[6]){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	N[6](C[6]N[5a]C[6])(C[6]C[6]){1|N<2>,1|N<3>,2|C<3>}	118.3010	0.000	1	118.3010	0.000	1	118.3010	0.000	1	118.3010	0.000	1	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:2:2:	3:3:3:	3:3:	N[5a]-3:N[6]-2:N[6]-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[5,6]-3:C[6]-3:	C[6](N[5a]C[5a]2)(N[6]C[5,6])(N[6]C[6,6])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]N[6]2)	N[6](C[5,6]N[5,6]N[5])(C[6]N[5a]N[6])	C[6](N[5a]C[5a]2)(N[6]C[5,6])(N[6]C[6,6]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6]N[5,6]N[5])(C[6]N[5a]N[6]){2|C<3>,4|C<4>}	112.0280	0.000	1	112.0280	0.000	1	112.0280	0.000	1	112.0280	0.000	1	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:2:2:	3:3:3:	4:3:	N[5a]-3:N[6]-2:N[6]-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[6,6]-4:C[6]-3:	C[6](N[5a]C[5a]2)(N[6]C[5,6])(N[6]C[6,6])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]N[6]2)	N[6](C[6,6]C[6,6a]2N[5,6])(C[6]N[5a]N[6])	C[6](N[5a]C[5a]2)(N[6]C[5,6])(N[6]C[6,6]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6a]2N[5,6])(C[6]N[5a]N[6]){1|C<4>,7|C<3>}	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:2:3:	3:3:	N[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[6](C[6]N[5a]N[6])(N[6]C[6]H)	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[5a]N[6])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	120.0175	0.291	2	120.0175	0.084	2	120.0175	0.084	2	120.0175	0.084	2	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:2:3:	3:4:	N[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:P[6]-4:	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[6](C[6]N[5a]N[6])(P[6]N[6]OO)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	N[6](C[6]N[5a]N[6])(P[6]N[6]OO){1|H<1>,1|N<2>,2|C<3>}	121.6920	0.096	2	121.6920	0.009	2	121.6920	0.009	2	121.6920	0.009	2	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:3:2:	3:2:	N[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:	C[6](N[5a]C[5a]N[5a])(C[6]P[6]O)(N[6]N[6])	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	N[6](C[6]N[5a]C[6])(N[6]C[6])	C[6](N[5a]C[5a]N[5a])(C[6]P[6]O)(N[6]N[6]){1|C<4>,3|C<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|P<2>}	N[6](C[6]N[5a]C[6])(N[6]C[6]){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|P<2>}	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	N[6](C[6]N[5a]C[6])(C[6]N[6]C)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[6](C[6]N[5a]C[6])(C[6]N[6]C){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	115.0975	0.330	2	115.0975	0.109	2	115.7156	1.265	7	115.7156	1.265	7	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	N[6](C[6]N[5a]C[6])(C[6]N[6]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[6](C[6]N[5a]C[6])(C[6]N[6]H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	115.4267	0.472	4	115.9628	1.604	5	115.7156	1.265	7	115.7156	1.265	7	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	N[6](C[6]N[5a]C[6])(C[6]N[6]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[6](C[6]N[5a]C[6])(C[6]N[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	118.1070	0.000	1	115.9628	1.604	5	115.7156	1.265	7	115.7156	1.265	7	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:3:3:	3:3:	N[5a]-3:C[6]-3:N[6]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[5a]C[5a,6a]2)(C[6]N[6]H)(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	N[6](C[6]N[5a]C[6])(C[6]C[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]N[6]H)(N[6]C[6]){1|Cu<5>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|N<3>,3|H<1>,5|C<3>}	N[6](C[6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	118.0350	0.000	1	118.0350	0.000	1	118.0350	0.000	1	119.0673	5.156	8	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:3:3:	3:3:	N[5a]-3:N[6]-3:N[6]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]N[6]2)	N[6](C[6]N[5a]N[6])(C[6]C[6]H)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(N[6]C[6]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]N[6]2){1|Pd<4>,1|H<1>,6|C<3>}	N[6](C[6]N[5a]N[6])(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	116.4570	0.733	2	116.4570	0.537	2	116.4570	0.537	2	119.0673	5.156	8	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:3:3:	3:3:	N[5a]-3:N[6]-3:N[6]-2:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Mn)(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Mn)(C[6]N[6]2)	N[6](C[6]N[5a]N[6])(C[6]C[6]H)	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Mn)(N[6]C[6]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Mn)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]N[5a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,3|C<3>}	120.1860	0.000	1	120.1860	0.000	1	121.1037	4.194	3	119.0673	5.156	8	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:3:3:	3:3:	N[5a]-3:N[6]-3:N[6]-2:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Rh)(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2)	N[6](C[6]N[5a]N[6])(C[6]C[6]H)	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Rh)(N[6]C[6]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]N[5a]N[6])(C[6]C[6]H){1|Rh<8>,1|H<1>,3|C<3>}	123.4500	0.000	1	121.5625	7.125	2	121.1037	4.194	3	119.0673	5.156	8	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:3:3:	3:3:	N[5a]-3:N[6]-3:N[6]-2:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Rh)(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2)	N[6](C[6]N[5a]N[6])(C[6]C[6]H)	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Rh)(N[6]C[6]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2){2|H<1>,4|C<3>}	N[6](C[6]N[5a]N[6])(C[6]C[6]H){1|Rh<8>,1|H<1>,3|C<3>}	119.6750	0.000	1	121.5625	7.125	2	121.1037	4.194	3	119.0673	5.156	8	117.2178	8.923	26	117.2178	8.923	26
762	813	914	0:SP2_SP2_SP2	C[6]	N[5a]	N[6]	3:3:2:	3:3:3:	3:3:	N[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6])	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(C[6]N[6]2)	N[6](C[6]N[5a]N[6])(C[6]C[6]O)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(C[6]N[6]2){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]N[5a]N[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>}	119.1390	0.154	2	119.1390	0.024	2	119.1390	0.024	2	119.0673	5.156	8	117.2178	8.923	26	117.2178	8.923	26
762	813	914	6:SP2_SP2_SP2	C[6]	N[5a,6]	N[6]	3:2:1:	3:3:3:	3:4:	N[5a,6]-3:N[6]-2:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6])(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]N[6]O)	N[6](C[6]N[5a,6]O)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]N[6]O){1|C<4>,3|H<1>}	N[6](C[6]N[5a,6]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	119.6837	7.372	10	119.6837	7.372	10
762	813	914	6:SP2_SP2_SP2	C[6]	N[5a,6]	N[6]	3:2:3:	3:2:3:	3:3:	N[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH){4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,1|N<2>,3|C<3>}	120.9640	0.000	1	120.9640	0.000	1	120.9640	0.000	1	120.0355	1.724	2	119.6837	7.372	10	119.6837	7.372	10
762	813	914	6:SP2_SP2_SP2	C[6]	N[5a,6]	N[6]	3:2:3:	3:2:3:	3:3:	N[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]N[5a,6]N)(C[6]N[6]N)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){2|C<3>,2|N<3>}	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|N<3>}	N[6](C[6]N[5a,6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	119.1070	0.000	1	119.1070	0.000	1	119.1070	0.000	1	120.0355	1.724	2	119.6837	7.372	10	119.6837	7.372	10
762	813	914	6:SP2_SP2_SP2	C[6]	N[5a,6]	N[6]	3:2:3:	3:2:3:	3:4:	N[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]N[5a,6]N)(C[6]N[6]CC)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[5a,6]N)(C[6]N[6]CC){1|C<3>,1|H<1>,1|N<2>}	119.7320	0.290	2	119.7320	0.084	2	119.7320	0.084	2	119.7320	0.084	2	119.6837	7.372	10	119.6837	7.372	10
762	813	914	6:SP2_SP2_SP2	C[6]	N[5a,6]	N[6]	3:2:3:	3:2:3:	4:3:	N[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5,6]-4:C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH)	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH){1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	122.0090	0.192	2	122.0090	0.037	2	122.0090	0.037	2	122.0090	0.037	2	119.6837	7.372	10	119.6837	7.372	10
762	813	914	6:SP2_SP2_SP2	C[6]	N[5a,6]	N[6]	3:2:3:	3:3:3:	3:3:	N[5a,6]-3:N[6]-2:N-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH){1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,4|C<3>}	122.4180	0.000	1	122.4180	0.000	1	122.4180	0.000	1	122.4180	0.000	1	119.6837	7.372	10	119.6837	7.372	10
762	813	914	6:SP2_SP2_SP2	C[6]	N[5a,6]	N[6]	3:3:2:	3:2:3:	3:4:	N[5a,6]-3:N[6]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:S[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]2)(N[6]S[6])	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2)	N[6](C[6]N[5a,6]N[6])(S[6]O[6]OO)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2){1|H<1>,1|S<4>,3|C<4>}	N[6](C[6]N[5a,6]N[6])(S[6]O[6]OO){1|C<3>,1|N<2>,2|C<4>}	118.9255	0.582	2	118.9255	0.339	2	118.9255	0.339	2	118.9255	0.339	2	119.6837	7.372	10	119.6837	7.372	10
762	813	930	0:SP2_SP2_SP2	C[6]	N[5a,6]	C	3:2:3:	3:2:3:	3:3:1:	N[5a,6]-3:S[6]-2:C-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C)	C(C[6]N[5a,6]S[6])(CC[6a]O)(H)	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH){4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C){1|H<1>,1|N<3>,2|C<3>}	C(C[6]N[5a,6]S[6])(CC[6a]O)(H)	120.4340	0.455	2	120.4340	0.207	2	120.4340	0.207	2	120.4340	0.207	2	122.0154	33.985	7	122.0154	33.985	7
762	813	930	0:SP2_SP2_SP2	C[6]	N[5a,6]	C	3:3:3:	3:3:3:	3:2:1:	N[5a,6]-3:C[6]-3:C-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(COO)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C)	C(C[6]N[5a,6]C[6])(OC)(O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(COO){3|C<3>,3|C<4>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]N[5a,6]C[6])(OC)(O)	117.9250	0.000	1	117.9250	0.000	1	117.9250	0.000	1	117.9250	0.000	1	122.0154	33.985	7	122.0154	33.985	7
762	813	930	0:SP2_SP2_SP2	C[6]	N[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[6,6]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C)	C(C[6]N[5a,6]C[6,6])(C[6a]C[6a]2)(O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,3|H<1>}	C(C[6]N[5a,6]C[6,6])(C[6a]C[6a]2)(O)	113.5630	0.000	1	113.5630	0.000	1	113.5630	0.000	1	113.5630	0.000	1	122.0154	33.985	7	122.0154	33.985	7
762	813	930	0:SP2_SP2_SP2	C[6]	N[5a,6]	C	3:4:3:	3:3:3:	3:1:1:	N[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C)	C(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	C(C[6]N[5a,6]C[6])(H)2	123.0780	0.000	1	123.0780	0.000	1	123.0780	0.000	1	123.0780	0.000	1	122.0154	33.985	7	122.0154	33.985	7
762	813	930	0:SP2_SP2_SP2	C[6]	N[5a,6]	C	3:4:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C(C[5a]C[5a]N[5a])(C[6]N[5a,6]C[6])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	C(C[5a]C[5a]N[5a])(C[6]N[5a,6]C[6])(H)	128.2910	0.000	1	128.2910	0.000	1	129.3370	2.188	2	129.3370	2.188	2	122.0154	33.985	7	122.0154	33.985	7
762	813	930	0:SP2_SP2_SP2	C[6]	N[5a,6]	C	3:4:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C(C[5a]C[5a]N[5a])(C[6]N[5a,6]C[6])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|O<1>,1|O<2>,4|H<1>}	C(C[5a]C[5a]N[5a])(C[6]N[5a,6]C[6])(H)	130.3830	0.000	1	130.3830	0.000	1	129.3370	2.188	2	129.3370	2.188	2	122.0154	33.985	7	122.0154	33.985	7
762	813	941	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:2:2:	3:3:3:	3:3:	N[5a,6]-3:O[6]-2:N-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(NC[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N)	N(C[6]N[5a,6]O[6])(C[6a]C[6a]2)	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(NC[6a]){5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N){3|C<3>,3|H<1>}	N(C[6]N[5a,6]O[6])(C[6a]C[6a]2)	121.9150	0.000	1	121.9150	0.000	1	121.9150	0.000	1	121.9150	0.000	1	120.2718	14.055	6	120.2718	14.055	6
762	813	941	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:2:2:	3:3:3:	3:4:	N[5a,6]-3:S[6]-2:N-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]S[6]N)	N(C[6]N[5a,6]S[6])(CC[6a]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC){1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]S[6]N){1|H<1>,4|C<3>}	N(C[6]N[5a,6]S[6])(CC[6a]HH)	119.0420	0.000	1	119.0420	0.000	1	119.0420	0.000	1	119.0420	0.000	1	120.2718	14.055	6	120.2718	14.055	6
762	813	941	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:3:2:	3:3:3:	3:1:	N[5a,6]-3:C[6,6a]-3:N-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(NH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]N)	N(C[6]C[6,6a]N[5a,6])(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(NH){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]N){1|H<1>,4|C<3>}	N(C[6]C[6,6a]N[5a,6])(H)	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	120.2718	14.055	6	120.2718	14.055	6
762	813	941	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:3:2:	3:3:3:	3:3:	N[5a,6]-3:N[6]-3:N-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]N[6]N)	N(C[6]N[5a,6]N[6])(C[6a]C[6a]2)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a]){1|N<3>,2|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]N[6]N){1|H<1>,4|C<3>}	N(C[6]N[5a,6]N[6])(C[6a]C[6a]2)	117.7700	0.000	1	117.7700	0.000	1	117.7700	0.000	1	117.7700	0.000	1	120.2718	14.055	6	120.2718	14.055	6
762	813	941	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:4:2:	3:3:3:	3:3:	N[5a,6]-3:C[6]-4:N-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]FF)(NC[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N)	N(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]FF)(NC[6a]){5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N){2|F<1>,2|H<1>,4|C<3>}	N(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	119.5800	0.000	1	119.5800	0.000	1	119.5800	0.000	1	119.5800	0.000	1	120.2718	14.055	6	120.2718	14.055	6
762	813	941	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	4:3:2:	3:3:3:	3:3:	C[6]-4:N[5a,6]-3:N-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a]N[5a])(N[5a,6]N[5a,6]C[5a])(NC[6a])	N[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]O)(C[6]C[6]N)	N(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a]N[5a])(N[5a,6]N[5a,6]C[5a])(NC[6a]){1|O<1>,2|N<3>,6|C<3>}	N[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]O)(C[6]C[6]N){1|N<3>,1|O<1>,4|C<3>}	N(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	126.9280	0.000	1	126.9280	0.000	1	126.9280	0.000	1	126.9280	0.000	1	120.2718	14.055	6	120.2718	14.055	6
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:2:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6])	116.0120	0.000	1	116.0120	0.000	1	116.0120	0.000	1	118.4160	11.558	2	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:2:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[5a,6]C[6])	120.8200	0.000	1	120.8200	0.000	1	120.8200	0.000	1	118.4160	11.558	2	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,5a]C[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,5a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6])	120.5130	0.000	1	120.5130	0.000	1	120.5130	0.000	1	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(H){3|C<3>,3|C<4>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5a,6]C[6])	120.0010	0.048	2	120.0010	0.002	2	120.0010	0.002	2	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6,6a]H)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]2)(C[6]C[6,6a]H)(H){5|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	H(C[6]N[5a,6]C[6])	120.3540	0.000	1	120.3540	0.000	1	119.9025	1.614	6	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]F)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]F)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]N[5a,6]C[6])	117.3490	0.000	1	117.3490	0.000	1	119.9025	1.614	6	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6])	120.3305	0.250	2	120.3077	0.033	3	119.9025	1.614	6	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6])	120.2620	0.000	1	120.3077	0.033	3	119.9025	1.614	6	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>}	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6])	120.7890	0.000	1	120.7890	0.000	1	119.9025	1.614	6	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6]H)(H)	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H){2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6])	119.9040	0.000	1	119.9040	0.000	1	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]H)(H)	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]H)(H){5|C<3>}	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6])	125.1750	0.000	1	125.1750	0.000	1	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6])	120.5550	0.000	1	120.5550	0.000	1	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Ir)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Ir)(C[6]C[6]H){2|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6])	120.2995	0.296	6	120.2995	0.088	6	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Re)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Re)(C[6]C[6]H){2|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6])	120.5725	0.192	2	120.5725	0.037	2	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6])	112.6600	3.451	2	112.6600	11.907	2	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,4|H<1>}	H(C[6]N[5a,6]C[6])	120.3540	0.468	2	120.3820	0.112	3	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]N[5a,6]C[6])	120.4380	0.000	1	120.3820	0.112	3	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6])	120.2060	0.000	1	120.2060	0.000	1	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]N[5a,6]C[6])	120.6460	0.000	1	120.6460	0.000	1	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]H){1|C<3>,4|H<1>}	H(C[6]N[5a,6]C[6])	117.2680	0.000	1	117.2680	0.000	1	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6])	121.0960	0.649	2	120.9807	0.251	3	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5a,6]C[6])	120.7500	0.000	1	120.9807	0.251	3	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5a,6]C[6])	121.3440	0.000	1	121.3440	0.000	1	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]S[5a]N)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]S[5a]N)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6])	120.2400	0.000	1	120.2400	0.000	1	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(H){1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]N[5a,6]C[6])	119.1080	0.000	1	119.1080	0.000	1	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]O)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]O)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]N[5a,6]C[6])	120.8040	0.000	1	120.8040	0.000	1	119.9077	6.539	26	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]H)(H){1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6])	120.4720	0.000	1	120.4720	0.000	1	119.7961	0.506	9	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]N[5a,6]C[6])	120.3030	0.000	1	120.1505	0.047	2	119.7961	0.506	9	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6])	119.9980	0.000	1	120.1505	0.047	2	119.7961	0.506	9	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<2>,3|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6])	120.0680	0.000	1	119.9790	0.016	2	119.7961	0.506	9	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){3|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6])	119.8900	0.000	1	119.9790	0.016	2	119.7961	0.506	9	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	H(C[6]N[5a,6]C[6])	120.3900	0.000	1	120.3900	0.000	1	119.7961	0.506	9	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H){5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	H(C[6]N[5a,6]C[6])	118.2510	0.000	1	118.2510	0.000	1	119.7961	0.506	9	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]C)(H){5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[5a,6]C[6])	119.1180	0.000	1	119.1180	0.000	1	119.7961	0.506	9	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(H){1|O<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5a,6]C[6])	119.6750	0.000	1	119.6750	0.000	1	119.7961	0.506	9	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6,6]H)(H)	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]N[5a,6]C[6])	119.1625	0.135	2	119.1625	0.018	2	119.1625	0.018	2	119.8700	3.937	46	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H)	H(C[6]C[6,6a]N[5a,6])	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|F<1>,1|H<1>,2|O<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5a,6])	120.7175	0.066	2	120.7175	0.004	2	120.7175	0.004	2	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	H(C[6]N[5a,6]C[6])	120.0250	0.110	3	120.0250	0.012	3	119.0692	3.662	4	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H){1|B<3>,1|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6])	116.2020	0.000	1	116.2020	0.000	1	119.0692	3.662	4	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H){1|H<1>,1|S<2>,6|C<3>}	H(C[6]N[5a,6]C[6])	120.2380	0.000	1	120.2380	0.000	1	120.0311	0.031	7	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	H(C[6]N[5a,6]C[6])	119.9967	0.166	6	119.9967	0.028	6	120.0311	0.031	7	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H){1|H<1>,2|S<2>,5|C<3>}	H(C[6]N[5a,6]C[6])	120.0790	0.208	2	120.0790	0.043	2	119.5901	0.422	38	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H){1|H<1>,8|C<3>}	H(C[6]N[5a,6]C[6])	119.7750	0.298	6	119.7750	0.089	6	119.5901	0.422	38	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	H(C[6]N[5a,6]C[6])	119.8300	0.279	2	119.4943	0.519	28	119.5901	0.422	38	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	H(C[6]N[5a,6]C[6])	119.4685	0.740	26	119.4943	0.519	28	119.5901	0.422	38	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H){1|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6])	119.8875	0.067	2	119.8875	0.005	2	119.5901	0.422	38	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6])	119.7120	0.000	1	119.7120	0.000	1	119.3353	1.657	6	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6])	119.9320	0.000	1	119.9320	0.000	1	119.3353	1.657	6	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6])	116.7280	0.000	1	116.7280	0.000	1	119.3353	1.657	6	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,5a]C[6])(B[5a]C[5a,5a]Cl2)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]N[5a,5a]C[6])(B[5a]C[5a,5a]Cl2)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6])	119.6230	0.000	1	119.6230	0.000	1	119.3353	1.657	6	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,6a]C[6])(B[5a]C[5a,6a]FF)(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[5a,6](C[5a,6]N[5a,6a]C[6])(B[5a]C[5a,6a]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6])	120.0085	0.047	2	120.0085	0.002	2	119.3353	1.657	6	119.6205	0.722	57	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[6,6a]-3:H-1:	B[5a,6]-4:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H)	H(C[6]C[6,6a]N[5a,6])	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]N[5a,6])	120.3745	0.211	2	120.3745	0.045	2	120.3745	0.045	2	118.5625	3.888	11	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	B[5,5a]-4:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]B[5,5a]C[5a,6])(C[6]C[6]H)(H)	N[5a,6](B[5,5a]C[5a,6a]O[5]2)(C[5a,6]N[5a,6a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]B[5,5a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	N[5a,6](B[5,5a]C[5a,6a]O[5]2)(C[5a,6]N[5a,6a]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6])	119.3440	0.093	2	119.3440	0.009	2	119.3440	0.009	2	118.5625	3.888	11	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6])	119.5590	0.000	2	117.5722	4.916	6	117.8214	4.532	7	118.5625	3.888	11	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,2|N<2>,5|C<3>}	H(C[6]N[5a,6]C[6])	119.6220	0.000	1	117.5722	4.916	6	117.8214	4.532	7	118.5625	3.888	11	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	H(C[6]N[5a,6]C[6])	115.5643	0.442	3	117.5722	4.916	6	117.8214	4.532	7	118.5625	3.888	11	119.5983	2.487	116	119.5983	2.487	116
762	813	951	0:SP2_SP-NON_SP2	C[6]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[6]-3:H-1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H)	H(C[6]N[5a,6]C[6])	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H){1|B<3>,2|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6])	119.3170	0.000	1	119.3170	0.000	1	117.8214	4.532	7	118.5625	3.888	11	119.5983	2.487	116	119.5983	2.487	116
762	813	956	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:2:3:	3:2:3:	3:1:1:	N[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]N[5a,6]N[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){2|C<3>,2|N<3>}	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|N<3>}	N(C[6]N[5a,6]N[6])(H)2	117.7260	0.000	1	117.7260	0.000	1	116.6370	0.890	3	116.6370	0.890	3	115.5411	3.339	9	115.5411	3.339	9
762	813	956	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:2:3:	3:2:3:	3:1:1:	N[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]N[5a,6]N[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6]N[5a,6]N[6])(H)2	116.0925	0.016	2	116.0925	0.000	2	116.6370	0.890	3	116.6370	0.890	3	115.5411	3.339	9	115.5411	3.339	9
762	813	956	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:2:3:	3:2:3:	3:4:1:	N[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C-4:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH)	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH){1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,3|H<1>}	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	113.5450	0.000	1	113.5450	0.000	1	113.7235	0.064	2	113.7235	0.064	2	115.5411	3.339	9	115.5411	3.339	9
762	813	956	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:2:3:	3:2:3:	3:4:1:	N[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C-4:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N)	N(C[6]N[5a,6]N[6])(CC3)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH){4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N){4|C<3>}	N(C[6]N[5a,6]N[6])(CC3)(H)	113.9020	0.000	1	113.9020	0.000	1	113.7235	0.064	2	113.7235	0.064	2	115.5411	3.339	9	115.5411	3.339	9
762	813	956	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	N[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH){1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N){1|H<1>,3|C<3>}	N(C[6]N[5a,6]C[6])(H)2	113.7990	0.000	1	113.7990	0.000	1	116.2345	11.863	2	116.2345	11.863	2	115.5411	3.339	9	115.5411	3.339	9
762	813	956	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	N[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N){1|C<3>,3|H<1>}	N(C[6]N[5a,6]C[6])(H)2	118.6700	0.000	1	118.6700	0.000	1	116.2345	11.863	2	116.2345	11.863	2	115.5411	3.339	9	115.5411	3.339	9
762	813	956	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:3:3:	3:3:3:	3:1:1:	N[5a,6]-3:C[6]-3:N-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N)	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH){1|C<4>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	N(C[6]N[5a,6]C[6])(H)2	115.8250	0.000	1	115.8250	0.000	1	115.8250	0.000	1	115.0215	1.291	2	115.5411	3.339	9	115.5411	3.339	9
762	813	956	0:SP2_SP2_SP2	C[6]	N[5a,6]	N	3:3:3:	3:3:3:	3:1:1:	N[5a,6]-3:C[6]-3:N-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N)	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N(C[6]N[5a,6]C[6])(H)2	114.2180	0.000	1	114.2180	0.000	1	114.2180	0.000	1	115.0215	1.291	2	115.5411	3.339	9	115.5411	3.339	9
762	813	956	0:SP2_SP2_SP3	C[6]	N[5a,6]	N	3:2:3:	3:2:3:	3:4:1:	N[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C-4:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH)	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH){1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,3|H<1>}	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	113.9980	0.000	1	113.9980	0.000	1	113.9980	0.000	1	113.9980	0.000	1	114.4510	0.410	2	114.4510	0.410	2
762	813	956	0:SP2_SP2_SP3	C[6]	N[5a,6]	N	3:2:3:	3:3:3:	3:4:1:	N[5a,6]-3:N[6]-2:N-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	N(C[6]N[5a,6]N[6])(CC3)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH){1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){1|H<1>,4|C<3>}	N(C[6]N[5a,6]N[6])(CC3)(H)	114.9040	0.000	1	114.9040	0.000	1	114.9040	0.000	1	114.9040	0.000	1	114.4510	0.410	2	114.4510	0.410	2
762	818	818	6:SP2_SP2_SP2	C[3x6]	C[5,6,6]	C[5,6,6]	3:3:4:	4:3:3:	4:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,5,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,5,6]-4:C[3x6]-3:C[5,6,6]-4:	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(C[3x6]C[5,6,6]C[3x6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2Cl)	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl){3|Cl<1>,4|C<3>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(C[3x6]C[5,6,6]C[3x6]){4|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,2|C<4>,6|C<3>}	119.1320	0.000	1	119.1320	0.000	1	119.1320	0.000	1	119.1320	0.000	1	119.1320	0.000	1	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:Br-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(Br)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(S[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(S[5]Se[5])	C[6](C[5,6]C[5,6]S[5])2(Br){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(S[5]Se[5]){1|C<3>,1|C<4>,1|S<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(S[5]Se[5]){1|C<3>,1|C<4>,1|S<2>}	120.3815	0.624	2	120.3815	0.390	2	120.3815	0.390	2	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:Br-1:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])2(Br)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(Se[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(Se[5]Se[5])	C[6](C[5,6]C[5,6]Se[5])2(Br){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	122.1120	0.000	1	122.1120	0.000	1	122.1120	0.000	1	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:Cl-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(Cl)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]Cl)(S[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]Cl)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(Cl){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]Cl)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]Cl)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	121.0660	0.000	1	121.0660	0.000	1	121.1933	0.100	7	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:Cl-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(Cl)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(S[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(S[5]Se[5])	C[6](C[5,6]C[5,6]S[5])2(Cl){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(S[5]Se[5]){1|C<3>,1|C<4>,1|S<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(S[5]Se[5]){1|C<3>,1|C<4>,1|S<2>}	121.2145	0.341	6	121.2145	0.116	6	121.1933	0.100	7	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:Cl-1:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])2(Cl)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]S[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]S[5])	C[6](C[5,6]C[5,6]Se[5])2(Cl){1|N<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]S[5]){1|Se<2>,1|C<3>,1|C<4>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]S[5]){1|Se<2>,1|C<3>,1|C<4>}	120.6625	0.043	2	120.6625	0.002	2	121.1246	0.199	5	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:Cl-1:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])2(Cl)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]Se[5])	C[6](C[5,6]C[5,6]Se[5])2(Cl){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	121.4327	0.205	3	121.4327	0.042	3	121.1246	0.199	5	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:F-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(F)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]F)(S[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]F)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(F){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]F)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]F)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	123.0210	0.000	1	123.0210	0.000	1	123.0210	0.000	1	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]H)(S[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]H)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(H){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]H)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]H)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	118.4770	0.000	1	118.4770	0.000	1	118.4770	0.000	1	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])2(H)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]S[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]S[5])	C[6](C[5,6]C[5,6]Se[5])2(H){1|N<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]S[5]){1|Se<2>,1|C<3>,1|C<4>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]S[5]){1|Se<2>,1|C<3>,1|C<4>}	118.8220	0.000	2	118.8220	0.000	2	119.2675	0.265	4	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])2(H)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]Se[5])	C[6](C[5,6]C[5,6]Se[5])2(H){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	119.7130	0.000	2	119.7130	0.000	2	119.2675	0.265	4	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:H-1:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])2(H)	C[5,6](N[5,6]B[5a,6]C[5])(C[6]C[5,6]H)(O[5]C[5])	C[5,6](N[5,6]B[5a,6]C[5])(C[6]C[5,6]H)(O[5]C[5])	C[6](C[5,6]N[5,6]O[5])2(H){1|B<4>,4|C<4>}	C[5,6](N[5,6]B[5a,6]C[5])(C[6]C[5,6]H)(O[5]C[5]){1|N<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6](N[5,6]B[5a,6]C[5])(C[6]C[5,6]H)(O[5]C[5]){1|N<3>,2|C<4>,2|H<1>,3|O<2>}	115.6580	0.000	1	115.6580	0.000	1	119.1705	6.338	4	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:H-1:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])2(H)	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a])	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a])	C[6](C[5,6]N[5,6]O[5])2(H){1|Ga<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	120.3413	1.132	3	120.3413	1.282	3	119.1705	6.338	4	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:I-1:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])2(I)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]I)(Se[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]I)(Se[5]Se[5])	C[6](C[5,6]C[5,6]Se[5])2(I){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]I)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]I)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	121.3770	0.000	1	121.3770	0.000	1	121.3770	0.000	1	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(N[5]N[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|N<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(N[5]N[5]){1|C<3>,1|N<2>,1|O<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(N[5]N[5]){1|C<3>,1|N<2>,1|O<1>}	110.5590	0.000	1	110.5590	0.000	1	114.1735	1.735	11	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|C<4>,1|N<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|C<4>,1|N<2>}	114.4230	0.000	1	114.5350	0.331	10	114.1735	1.735	11	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	113.6080	0.000	1	114.5350	0.331	10	114.1735	1.735	11	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	114.3450	0.000	1	114.5350	0.331	10	114.1735	1.735	11	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|N<2>,1|N<3>}	115.0473	0.328	4	114.5350	0.331	10	114.1735	1.735	11	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|N<2>,1|O<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|N<2>,1|O<2>}	113.7260	0.000	1	114.5350	0.331	10	114.1735	1.735	11	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	114.6760	0.000	1	114.5350	0.331	10	114.1735	1.735	11	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|N<2>,2|C<3>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|N<2>,2|C<3>}	114.3830	0.000	1	114.5350	0.331	10	114.1735	1.735	11	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(S[5]N[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(S[5]N[5])	C[6](C[5,6]C[5,6]S[5])2(O){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(S[5]N[5]){1|C<3>,1|O<1>,1|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(S[5]N[5]){1|C<3>,1|O<1>,1|S<2>}	113.4960	0.051	2	113.4960	0.003	2	113.4960	0.003	2	118.3687	11.381	39	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]H)(S[5]C[5,6a])	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(H){1|B<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|F<1>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]H)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5]-3:	C[6](C[5,6]C[5,6]C[5])2(H)	C[5,6](C[5,6]B[6]C[5])(C[6]C[5,6]H)(C[5]C[5]C)	C[5,6](C[5,6]B[6]C[5])(C[6]C[5,6]H)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5,6](C[5,6]B[6]C[5])(C[6]C[5,6]H)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5,6](C[5,6]B[6]C[5])(C[6]C[5,6]H)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	121.8910	0.000	1	121.8910	0.000	1	121.8910	0.000	1	121.8910	0.000	1	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:4:	3:3:4:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])2(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[6](C[5,6]C[5,6]C[5])2(H){9|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){1|Cu<2>,1|Cu<3>,1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){1|Cu<2>,1|Cu<3>,1|C<3>,2|H<1>,3|C<4>}	118.8390	0.000	1	119.0235	0.068	2	119.0235	0.068	2	117.1879	1.698	7	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:4:	3:3:4:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])2(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[6](C[5,6]C[5,6]C[5])2(H){9|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){2|Cu<2>,1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){2|Cu<2>,1|C<3>,2|H<1>,3|C<4>}	119.2080	0.000	1	119.0235	0.068	2	119.0235	0.068	2	117.1879	1.698	7	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:4:	3:3:4:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])2(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[6](C[5,6]C[5,6]C[5])2(O){1|C<3>,8|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	116.2657	0.043	3	116.2692	0.001	4	116.2692	0.001	4	117.1879	1.698	7	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:4:	3:3:4:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])2(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[6](C[5,6]C[5,6]C[5])2(O){1|C<3>,8|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|S<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|S<1>,2|H<1>,3|C<4>}	116.2800	0.000	1	116.2692	0.001	4	116.2692	0.001	4	117.1879	1.698	7	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:1:	3:3:4:	3:3:4:	C[5,6]-3:C[5,6]-3:S-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])2(S)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC)	C[6](C[5,6]C[5,6]C[5])2(S){1|C<3>,8|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	117.1910	0.000	1	117.1910	0.000	1	117.1910	0.000	1	117.1879	1.698	7	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:2:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:O-2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(OH)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(S[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(OH){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	118.0650	0.000	1	118.0650	0.000	1	118.0650	0.000	1	118.0650	0.000	1	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6]-3:C-2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]C)(S[5]C[5,6a])	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(CN){1|B<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|F<1>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	118.8960	0.000	1	118.8960	0.000	1	118.8960	0.000	1	118.8960	0.000	1	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C-2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]N[5])(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C)	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(C[6]C[5,6]C)	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]N[5])(CN){1|B<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C){1|H<1>,1|O<1>,2|C<3>,2|F<1>,2|N<3>}	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(C[6]C[5,6]C){1|N<3>,2|F<1>,3|C<3>}	118.6520	0.000	1	118.6520	0.000	1	118.6520	0.000	1	118.6520	0.000	1	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[6]-3:C[5,6]-3:S[5]-2:	C[6]-3:C[5,6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(C[6a]C[6a]2)	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[6]N[5])(S[5]S[5])	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[6]N[5])(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(C[6a]C[6a]2){2|H<1>,2|N<2>,2|S<2>,3|C<3>}	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[6]N[5])(S[5]S[5]){1|O<1>,1|S<2>,3|C<3>}	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[6]N[5])(S[5]S[5]){1|O<1>,1|S<2>,3|C<3>}	116.7700	0.000	1	116.7700	0.000	1	116.7700	0.000	1	119.8174	2.940	5	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:N-3:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(NOO)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]N)(S[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]N)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(NOO){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]N)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]N)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	120.5793	0.225	4	120.5793	0.050	4	120.5793	0.050	4	119.8174	2.940	5	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a])	C[6](C[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a]){11|C<3>,1|H<1>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	117.6210	0.000	1	117.6210	0.000	1	117.6210	0.000	1	117.6210	0.000	1	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(CH3)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]C)(S[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]C)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(CH3){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]C)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]C)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	116.7440	0.000	1	116.7440	0.000	1	117.1083	0.244	3	117.3331	0.519	10	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])2(CH3)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]C)(S[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]C)(S[5]Se[5])	C[6](C[5,6]C[5,6]S[5])2(CH3){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]C)(S[5]Se[5]){1|C<3>,1|C<4>,1|S<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]C)(S[5]Se[5]){1|C<3>,1|C<4>,1|S<2>}	117.2905	0.537	2	117.2905	0.288	2	117.1083	0.244	3	117.3331	0.519	10	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])2(CH3)	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	C[6](C[5,6]N[5,6]O[5])2(CH3){1|Ge<2>,4|C<4>}	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	117.6366	0.893	5	117.4294	0.662	7	117.4294	0.662	7	117.3331	0.519	10	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])2(CH3)	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	C[6](C[5,6]N[5,6]O[5])2(CH3){1|Ge<3>,4|C<4>}	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,1|O<3>,3|H<1>}	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,1|O<3>,3|H<1>}	117.0250	0.000	1	117.4294	0.662	7	117.4294	0.662	7	117.3331	0.519	10	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])2(CH3)	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	C[6](C[5,6]N[5,6]O[5])2(CH3){1|Ge<3>,4|C<4>}	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	116.7980	0.000	1	117.4294	0.662	7	117.4294	0.662	7	117.3331	0.519	10	118.2164	7.681	68	118.2296	7.580	69
762	818	818	6:SP2_SP2_SP2	C[6]	C[5,6]	C[5,6]	3:3:4:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[6]-3:C[5]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[5,6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[5,6]C){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]O[5]O){1|C<3>,2|O<2>,3|C<4>}	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	118.2164	7.681	68	118.2296	7.580	69
762	818	830	0:SP2_SP-NON_SP2	C[6]	C[5,6]	F	3:2:1:	3:3:2:	3:	C[5,6]-3:C[6]-2:F-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[6]-3:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6])(F)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(S[5]C[5])	F(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6])(F){1|C<2>,1|C<3>,1|F<1>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(S[5]C[5]){1|Ir<6>,2|C<3>}	F(C[6]C[5,6]C[6])	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	119.5152	6.238	6	119.5152	6.238	6
762	818	830	0:SP2_SP-NON_SP2	C[6]	C[5,6]	F	3:3:1:	3:3:2:	3:	C[5,6]-3:C[5,6]-3:F-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[6]-3:	C[6](C[5,6]C[5,6]S[5])2(F)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]F)(S[5]S[5])	F(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]S[5])2(F){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]F)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	F(C[6]C[5,6]2)	118.4895	1.327	2	118.4895	1.762	2	118.4895	1.762	2	119.9434	6.422	5	119.5152	6.238	6	119.5152	6.238	6
762	818	830	0:SP2_SP-NON_SP2	C[6]	C[5,6]	F	3:3:1:	3:3:2:	3:	C[5,6]-3:C[6]-3:F-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]N[6]O)(F)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(O[5]C[5])	F(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5])(C[6]N[6]O)(F){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(O[5]C[5]){1|N<3>,2|C<4>,2|O<1>}	F(C[6]C[5,6]C[6])	124.2650	0.000	1	124.2650	0.000	1	124.2650	0.000	1	119.9434	6.422	5	119.5152	6.238	6	119.5152	6.238	6
762	818	830	0:SP2_SP-NON_SP2	C[6]	C[5,6]	F	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[5,6]-3:F-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5])(F)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5a,6]F)(S[5]S[5])	F(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5])(F){1|N<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5a,6]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	F(C[6]C[5a,6]C[5,6])	119.2365	0.158	2	119.2365	0.025	2	119.2365	0.025	2	119.9434	6.422	5	119.5152	6.238	6	119.5152	6.238	6
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:N[6]-3:N[6]-2:	C[5,6a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]N[6]2)	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]N[6]2){2|H<1>,4|C<3>}	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	119.3890	0.000	1	119.3890	0.000	1	119.3890	0.000	1	119.3890	0.000	1	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:2:2:	3:3:1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[5]-2:N[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5])(N[5]N[5])	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5])(N[5]N[5]){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	120.9425	1.569	2	120.9425	2.462	2	120.9425	2.462	2	120.9425	2.462	2	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[5]-3:N[5]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C)	C[5](C[6]C[6]N[6])(C[5]N[5]H)(N[5]N[5])	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|N<3>,3|H<1>}	C[5](C[6]C[6]N[6])(C[5]N[5]H)(N[5]N[5]){1|Ir<8>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	120.4440	0.000	1	120.4440	0.000	1	122.9005	12.069	2	122.9005	12.069	2	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[5]-3:N[5]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C)	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5])	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]){1|Ir<8>,1|C<4>,3|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|Ir<8>,1|H<1>,1|N<2>,2|C<3>}	125.3570	0.000	1	125.3570	0.000	1	122.9005	12.069	2	122.9005	12.069	2	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[5]-3:N[6]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6]-3:N[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]N[6]O)	C[5](C[6]C[6,6a]N[6])(N[5]C[5]O)2	N[6](C[6]C[6,6a]C[5])(N[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]N[6]O){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5](C[6]C[6,6a]N[6])(N[5]C[5]O)2{1|N<2>,1|O<1>,2|C<3>,4|C<4>}	N[6](C[6]C[6,6a]C[5])(N[6]C[6])(O){1|H<1>,2|C<3>,2|N<3>}	116.1475	1.279	2	116.1475	1.636	2	116.1475	1.636	2	116.1475	1.636	2	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6]-3:N[6]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt)	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H){1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	117.4357	1.600	12	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5,6a]H)2	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5,6a]H)2{2|H<1>,4|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.0320	0.000	1	118.0320	0.000	1	118.0320	0.000	1	117.4357	1.600	12	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	116.8185	1.115	2	116.8185	1.243	2	116.3638	0.735	4	117.4357	1.600	12	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[6](C[6]C[6a]C[6])(C[6]C[5]C[6])(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	N[6](C[6]C[6a]C[6])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	115.6500	0.000	1	115.6500	0.000	1	116.3638	0.735	4	117.4357	1.600	12	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	116.1680	0.000	1	116.1680	0.000	1	116.3638	0.735	4	117.4357	1.600	12	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	118.4590	0.000	1	118.4590	0.000	1	118.4590	0.000	1	117.4357	1.600	12	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5]-3:N[6]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]C[6]O)	C[5](C[6]C[6,6a]N[6])(N[5]C[5]O)2	N[6](C[6]C[6,6a]C[5])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]C[6]O){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[6]C[6,6a]N[6])(N[5]C[5]O)2{1|O<1>,3|C<3>,4|C<4>}	N[6](C[6]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	116.2400	0.000	1	116.2400	0.000	1	116.2400	0.000	1	117.4357	1.600	12	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[5]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|N<3>,3|O<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|N<3>,1|O<1>,2|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|H<1>,3|C<3>,3|N<3>}	117.0165	0.013	2	117.0165	0.000	2	117.0165	0.000	2	117.4357	1.600	12	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H){2|C<3>,2|C<4>,2|O<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	119.4010	0.000	1	119.0770	0.210	2	119.0770	0.210	2	117.4357	1.600	12	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H){2|C<3>,2|C<4>,2|O<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	118.7530	0.000	1	119.0770	0.210	2	119.0770	0.210	2	117.4357	1.600	12	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[5]-3:C[5]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N)	C[5](C[6]C[6]N[6])(C[5]N[5]C)(C[5]N[5]O)	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH)	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH){1|C<2>,1|H<1>,3|C<3>}	121.2465	0.641	2	121.2465	0.411	2	121.2465	0.411	2	121.2465	0.411	2	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6]-3:N[6]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	122.8680	0.000	1	122.8680	0.000	1	122.8680	0.000	1	122.9440	21.913	6	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[5]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C)	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C){1|Ir<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	117.8550	0.310	2	117.8550	0.096	2	123.0662	36.444	4	122.9440	21.913	6	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[5]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C)	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){2|C<3>,2|C<4>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	128.2775	0.779	2	128.2775	0.606	2	123.0662	36.444	4	122.9440	21.913	6	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[5]-3:C[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){2|C<3>,2|C<4>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	122.9440	21.913	6	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:N[6]-3:N[6]-3:	C[5]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H)	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H){2|C<4>,4|H<1>}	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.6930	0.000	1	119.6465	0.186	4	119.0310	0.686	8	119.0310	0.686	8	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:N[6]-3:N[6]-3:	C[5]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H)	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H){2|C<4>,4|H<1>}	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.6310	0.528	3	119.6465	0.186	4	119.0310	0.686	8	119.0310	0.686	8	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:N[6]-3:N[6]-3:	C[5]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H)	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H){2|C<4>,4|H<1>}	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.9990	0.000	1	118.4155	0.404	4	119.0310	0.686	8	119.0310	0.686	8	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:N[6]-3:N[6]-3:	C[5]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H)	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H){2|C<4>,4|H<1>}	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.5543	0.701	3	118.4155	0.404	4	119.0310	0.686	8	119.0310	0.686	8	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP2	C[6]	C[5]	N[6]	3:3:3:	4:3:3:	3:3:1:	N[6]-3:N[6]-3:C[5]-3:	C[5]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]N[6]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5]N[6])(H)	C[6](N[6]C[6,6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]N[6]2){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	121.1905	2.962	2	121.1905	8.774	2	121.1905	8.774	2	121.1905	8.774	2	119.5509	9.524	37	119.5509	9.524	37
762	818	856	0:SP2_SP2_SP3	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5]-3:N[6]-3:	C[6]-3:N[5,6]-3:N[5]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6])	C[5](C[6]C[6,6a]N[6])(N[5,6]C[5,6]2)(N[5]C[6a]N[5])	N[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,6|C<3>}	C[5](C[6]C[6,6a]N[6])(N[5,6]C[5,6]2)(N[5]C[6a]N[5]){1|H<1>,3|C<4>,6|C<3>}	N[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	118.1240	0.000	1	118.1240	0.000	1	118.1240	0.000	1	118.1240	0.000	1	118.8155	0.956	2	118.8155	0.956	2
762	818	856	0:SP2_SP2_SP3	C[6]	C[5]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]C)	C[5](C[6]C[6]N[6])(N[5]C[5]C)2	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,7|C<4>}	C[5](C[6]C[6]N[6])(N[5]C[5]C)2{1|H<1>,5|C<4>}	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH){1|C<4>,2|N<3>,3|H<1>}	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	118.8155	0.956	2	118.8155	0.956	2
762	818	856	6:SP2_SP2_SP2	C[6,6]	C[5,6]	N[6,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:N[6]-3:N[6,6]-3:	C[5,6]-3:C[6,6]-3:N[5]-2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6]N[5])(N[6]C[6,6a]Pt)(N[6,6]C[6]2)	C[5,6](C[5,6]C[5,6a]C[6])(C[6,6]N[6,6]N[6])(N[5]C[5,6a])	N[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]N[5])(N[6]C[6,6a]Pt)(N[6,6]C[6]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6,6]N[6,6]N[6])(N[5]C[5,6a]){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|Pt<4>,1|N<2>,2|H<1>,3|C<3>}	114.1510	0.000	1	114.1510	0.000	1	114.1510	0.000	1	114.1510	0.000	1	114.1510	0.000	1	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6,6]	N[6]	3:3:1:	4:4:3:	3:4:4:	C[5,6,6]-3:N[6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-4:S-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(N[6]C[6]S)(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]H)	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	120.5620	0.000	1	120.5620	0.000	1	120.5620	0.000	1	120.5620	0.000	1	120.5620	0.000	1	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5])(C[6]N[6]O)(N[5]C[5])	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[6]O[5])(C[6]N[6]O)(N[5]C[5]){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|F<1>,1|N<2>}	111.9550	0.000	1	111.9550	0.000	1	111.9550	0.000	1	111.9550	0.000	1	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:Cl-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]H)	N[6](C[6]C[5,6]Cl)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl){1|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5,6]Cl)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	111.2965	53.631	4	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]C)	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|N<3>}	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]C){2|Pt<4>,1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|N<3>}	110.0070	0.000	1	110.0070	0.000	1	107.8563	9.437	3	111.2965	53.631	4	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]H)	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]H){2|Ru<6>,1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|N<3>}	106.7810	3.455	2	106.7810	11.936	2	107.8563	9.437	3	111.2965	53.631	4	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[5,6]-3:N[6]-3:O-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]N[5,6]C[5])(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C[6](C[5,6]N[5,6]C[5])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	3:3:3:	3:4:1:	C[5,6]-3:N[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]N[6]H)	N[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]N[6]H){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|H<1>,3|C<3>}	120.7860	0.000	1	120.7860	0.000	1	120.7860	0.000	1	120.7860	0.000	1	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	3:4:3:	3:3:1:	C[5,6]-3:N[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H)	N[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H){1|C<3>,2|H<1>,2|O<2>}	N[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	117.2850	0.000	1	117.2850	0.000	1	117.2850	0.000	1	117.2850	0.000	1	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	3:4:3:	4:3:1:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]H)(O)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]O)	N[6](C[6,6]C[6]2N[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,6|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[5,6]O)(H){1|C<3>,3|C<4>,5|H<1>}	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	3:4:3:	4:3:3:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	116.0110	0.000	1	116.0110	0.000	1	115.7040	0.286	3	115.7040	0.286	3	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	3:4:3:	4:3:3:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	116.0150	0.000	1	115.5505	0.432	2	115.7040	0.286	3	115.7040	0.286	3	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	3:4:3:	4:3:3:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){2|H<1>,3|C<4>,5|C<3>}	115.0860	0.000	1	115.5505	0.432	2	115.7040	0.286	3	115.7040	0.286	3	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[5,6]-3:N[6]-3:H-1:	P[5]-4:C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H)	C[5,6](P[5]C[5,6]C[6a]C)(C[5,6]C[5,6]C[6])(C[6]N[6]H)	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](P[5]C[5,6]C[6a]C)(C[5,6]C[5,6]C[6])(C[6]N[6]H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	118.2155	0.639	2	118.2155	0.408	2	118.4373	0.385	4	118.4373	0.385	4	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[5,6]-3:N[6]-3:H-1:	P[5]-4:C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H)	C[5,6](P[5]C[5,6]C[6a]O)(C[5,6]C[5,6]C[6])(C[6]N[6]H)	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](P[5]C[5,6]C[6a]O)(C[5,6]C[5,6]C[6])(C[6]N[6]H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|P<4>}	118.6590	0.741	2	118.6590	0.549	2	118.4373	0.385	4	118.4373	0.385	4	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:1:	4:3:3:	3:4:4:	C[5,6]-3:N[6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]C)(O)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	115.6620	0.000	1	115.6620	0.000	1	115.6620	0.000	1	115.6620	0.000	1	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:N-2:	C[5,6]-3:N[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cd)(C[6]N[6]N)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO){1|Cd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cd)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	112.0182	0.848	4	111.9075	0.527	8	111.9075	0.527	8	112.4840	2.343	21	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:N-2:	C[5,6]-3:N[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cd)(C[6]N[6]N)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cd)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	111.7968	0.691	4	111.9075	0.527	8	111.9075	0.527	8	112.4840	2.343	21	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:O-2:	C[5,6]-3:N[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cu)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu){1|Cu<5>,1|C<3>,1|N<2>,2|N<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cu)(C[6]N[6]O){1|C<1>,1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	111.3530	0.000	1	111.3530	0.000	1	111.6990	0.488	5	112.4840	2.343	21	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:O-2:	C[5,6]-3:N[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	111.7855	0.775	4	111.7855	0.601	4	111.6990	0.488	5	112.4840	2.343	21	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:S-2:	C[5,6]-3:N[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SCo)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Co)(C[6]N[6]S)	N[6](C[6]C[5,6]S)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SCo){1|C<3>,1|N<2>,2|N<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Co)(C[6]N[6]S){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5,6]S)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	114.0940	1.964	6	114.0940	3.856	6	113.5511	3.766	8	112.4840	2.343	21	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:S-2:	C[5,6]-3:N[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SFe)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Fe)(C[6]N[6]S)	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SFe){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Fe)(C[6]N[6]S){1|C<3>,3|H<1>}	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	111.9870	0.000	1	111.9870	0.000	1	113.5511	3.766	8	112.4840	2.343	21	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:S-2:	C[5,6]-3:N[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SRu)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Ru)(C[6]N[6]S)	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SRu){1|C<2>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Ru)(C[6]N[6]S){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	111.8580	0.000	1	111.8580	0.000	1	113.5511	3.766	8	112.4840	2.343	21	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:N-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Co<6>,1|C<3>,2|H<1>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	112.6770	0.000	1	112.5025	0.061	2	112.5025	0.061	2	112.3865	0.141	4	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:N-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Pt<4>,1|C<3>,2|H<1>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	112.3280	0.000	1	112.5025	0.061	2	112.5025	0.061	2	112.3865	0.141	4	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[6]-3:N-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cu)(C[6]N[6]N)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cu)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	112.2705	0.556	2	112.2705	0.310	2	112.2705	0.310	2	112.3865	0.141	4	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[5,6]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[5]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6]C[6a]N[6])(C[5]C[5]O)	N[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,2|N<3>,2|O<1>,6|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6]C[6a]N[6])(C[5]C[5]O){1|O<1>,8|C<3>}	N[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,6|C<3>}	116.7555	0.071	2	116.7555	0.005	2	116.7555	0.005	2	116.7555	0.005	2	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:4:	3:3:3:	3:3:3:	C[5,6]-3:N[6]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6a]C[6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C)	N[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6a]C[6])(CH3){1|C<4>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP2	C[6]	C[5,6]	N[6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:N[6]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6]C)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C)	N[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.1230	0.000	1	119.1230	0.000	1	119.1230	0.000	1	119.1230	0.000	1	114.0198	11.454	46	114.1588	11.858	48
762	818	856	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	N[3x6]	3:3:3:	4:3:3:	3:4:4:	C[5,6,6]-3:N[3x6]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-3:N[5]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C)	N[3x6](C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]HH)2	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C){2|C<4>,2|H<1>,5|C<3>}	N[3x6](C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1	112.9060	1.415	2
762	818	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	3:3:1:	3:3:3:	3:4:1:	C[5,6]-3:N[6]-3:O-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]H)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(O){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]H){1|C<4>,7|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){2|H<1>,2|N<3>}	113.7470	0.000	1	113.7470	0.000	1	113.7470	0.000	1	113.7470	0.000	1	113.7470	0.000	1	112.9060	1.415	2