762	466	952	0:SP2_SP3_SP3	C[6]	C[6,6]	S	4:3:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:S-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[3,6]H)(SC[6a]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H)	S(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[3,6]H)(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	S(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	119.8080	0.000	1	119.8080	0.000	1	118.0544	1.181	5	118.0544	1.181	5	118.0544	1.181	5	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6,6]	S	4:3:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:S-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	S(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	S(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	117.6160	0.541	4	117.6160	0.293	4	118.0544	1.181	5	118.0544	1.181	5	118.0544	1.181	5	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	3:4:4:	3:2:1:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(SC[6a]OO)	C[6](C[6]C[6]S)(O[6]C[6])(H)2	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]S)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	112.6840	0.000	1	112.6840	0.000	1	112.6840	0.000	1	112.6840	0.000	1	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	3:4:4:	3:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO)	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO){1|C<4>,4|C<3>}	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2{3|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	116.6820	0.191	2	116.6820	0.036	2	114.8583	9.996	3	114.8583	9.996	3	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	3:4:4:	3:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO)	C[6](C[6]C[6]S)(N[6]C[6]S)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6]S)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	111.2110	0.000	1	111.2110	0.000	1	114.8583	9.996	3	114.8583	9.996	3	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	111.1500	0.000	1	111.1500	0.000	1	113.0293	2.675	3	113.0293	2.675	3	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2{1|N<3>,2|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	114.1300	0.000	1	114.1300	0.000	1	113.0293	2.675	3	113.0293	2.675	3	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	113.8080	0.000	1	113.8080	0.000	1	113.0293	2.675	3	113.0293	2.675	3	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	3:4:4:	4:3:1:1:	3:4:1:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:O-1:O-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SCOO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2	S(C[6]C[6]2)(CH3)(O)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SCOO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2{1|N<3>,2|C<3>}	S(C[6]C[6]2)(CH3)(O)2	117.4080	0.000	1	117.4080	0.000	1	117.4080	0.000	1	117.4080	0.000	1	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	4:3:4:	3:2:3:2:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){1|Br<1>,2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	120.5005	0.353	2	121.0782	0.586	4	121.0782	0.586	4	121.0782	0.586	4	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	4:3:4:	3:2:3:2:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){3|H<1>,4|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	121.6560	0.546	2	121.0782	0.586	4	121.0782	0.586	4	121.0782	0.586	4	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2{1|H<1>,2|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	117.1050	0.000	1	117.1050	0.000	1	114.9200	9.548	2	114.9200	9.548	2	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]C)(SC[6a]OO)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(SC[6a]OO){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	112.7350	0.000	1	112.7350	0.000	1	114.9200	9.548	2	114.9200	9.548	2	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	4:3:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]N)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]N)(SC[6a]OO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	118.7925	0.279	2	118.7925	0.078	2	118.7925	0.078	2	115.2638	13.782	5	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	111.8040	0.000	1	111.8040	0.000	1	112.9113	6.771	3	115.2638	13.782	5	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]S)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	115.8840	0.000	1	115.8840	0.000	1	112.9113	6.771	3	115.2638	13.782	5	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]C)(SC[6a]OO)	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	111.0460	0.000	1	111.0460	0.000	1	112.9113	6.771	3	115.2638	13.782	5	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	4:3:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(SC[6a]OO){3|C<4>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	115.7240	11.752	2	116.0210	12.183	22	116.3976	10.670	27
762	466	952	0:SP2_SP3_SP3	C[6]	C[6]	S	4:3:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(SC[6a]OO)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(SC[6a]OO){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	118.1480	0.000	1	118.1480	0.000	1	118.1480	0.000	1	115.7240	11.752	2	116.0210	12.183	22	116.3976	10.670	27
762	466	956	0:SP2_SP2_SP3	C[6,6]	C[3x6]	N	3:4:3:	4:3:3:1:	3:1:1:	C[6,6]-3:C[3x6]-4:N-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H)	N(C[6,6]C[3x6]C[6,6])(H)2	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[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H){1|C<2>,2|C<4>,2|H<1>}	N(C[6,6]C[3x6]C[6,6])(H)2	118.5370	0.000	1	118.5370	0.000	1	118.5370	0.000	1	118.5370	0.000	1	121.4676	7.354	5	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6,6]	C[3x6]	N	4:3:3:	4:3:3:2:	3:1:1:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-2:	C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(CN)	N(C[6,6]C[3x6]C[6,6])(H)2	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[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(CN){1|C<2>,1|C<4>,2|H<1>}	N(C[6,6]C[3x6]C[6,6])(H)2	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	121.4676	7.354	5	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6,6]	C[3x6]	N	4:3:3:	4:4:3:1:	3:4:4:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-4:C-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(NCC)	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H)	N(C[6,6]C[3x6]C[6,6])(CH3)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(NCC){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H){1|H<1>,2|C<4>,5|C<3>}	N(C[6,6]C[3x6]C[6,6])(CH3)2	122.0440	0.000	1	122.0440	0.000	1	122.0440	0.000	1	122.0440	0.000	1	121.4676	7.354	5	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:	4:4:3:1:	3:4:3:	C[3x6]-4:C[3x6]-4:N-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:Ga-4:N[6]-3:	C[6,6](C[3x6]C[6,6]2H)2(NN[6]Ga)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H)	N(C[6,6]C[3x6]2)(GaC[6a]2C)(N[6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)2(NN[6]Ga){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H){3|C<4>,3|H<1>}	N(C[6,6]C[3x6]2)(GaC[6a]2C)(N[6]C[6]2)	123.6100	2.755	2	123.6100	7.589	2	123.6100	7.589	2	123.6100	7.589	2	121.4676	7.354	5	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:2:3:	4:2:3:1:	3:1:1:	C[6,6]-4:N[6]-2:N-3:	C[6]-4:O[6,6]-2:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H)	N(C[6]C[6,6]N[6])(O)2	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H){1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6,6]N[6])(O)2	117.6227	0.288	3	117.7612	0.079	5	117.7612	0.079	5	117.7612	0.079	5	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:2:3:	4:2:3:1:	3:1:1:	C[6,6]-4:N[6]-2:N-3:	C[6]-4:O[6,6]-2:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H)	N(C[6]C[6,6]N[6])(O)2	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H){1|O<2>,3|C<3>}	N(C[6]C[6,6]N[6])(O)2	117.9690	0.078	2	117.7612	0.079	5	117.7612	0.079	5	117.7612	0.079	5	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:2:3:	4:3:3:2:	3:1:1:	C[6,6]-4:N[6]-2:N-3:	C[3x6]-4:C[6,6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6,6]C)(N[6]C[6])(NHH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]N[6]N)(CN)	N(C[6]C[6,6]N[6])(H)2	C[6](C[6,6]C[3x6]C[6,6]C)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]N[6]N)(CN){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	N(C[6]C[6,6]N[6])(H)2	119.5200	0.000	1	119.5200	0.000	1	119.5200	0.000	1	119.5200	0.000	1	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	2:3:4:1:	3:1:1:	C[6,6]-4:C[5,6]-3:N-3:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]O[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	N(C[6]C[5,6]C[6,6])(O)2	C[6](C[6,6]O[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){2|H<1>,5|C<4>}	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	N(C[6]C[5,6]C[6,6])(O)2	118.1970	0.000	1	118.1970	0.000	1	118.1970	0.000	1	118.1970	0.000	1	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H)	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	N(C[6]C[6,6]C[6])(O)2	119.1770	0.000	1	119.1770	0.000	1	118.4562	0.506	4	118.4562	0.506	4	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|N<3>,3|H<1>}	N(C[6]C[6,6]C[6])(O)2	117.5480	0.000	1	117.5480	0.000	1	118.4562	0.506	4	118.4562	0.506	4	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H)	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	N(C[6]C[6,6]C[6])(O)2	118.5500	0.395	2	118.5500	0.156	2	118.4562	0.506	4	118.4562	0.506	4	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	3:3:3:3:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[5a,6]-3:N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6]H)(NOO)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O)	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6]H)(NOO){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	N(C[6]C[6,6]C[6])(O)2	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	3:3:4:1:	3:1:1:	C[6,6]-4:C[5,6]-3:N-3:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	N(C[6]C[5,6]C[6,6])(O)2	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){1|C<3>,2|H<1>,5|C<4>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	N(C[6]C[5,6]C[6,6])(O)2	118.4240	0.000	1	118.4240	0.000	1	117.2065	2.965	2	117.2065	2.965	2	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	3:3:4:1:	3:1:1:	C[6,6]-4:C[5,6]-3:N-3:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	N(C[6]C[5,6]C[6,6])(O)2	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){1|N<3>,2|H<1>,5|C<4>}	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	N(C[6]C[5,6]C[6,6])(O)2	115.9890	0.000	1	115.9890	0.000	1	117.2065	2.965	2	117.2065	2.965	2	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	3:4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H)	N(C[6]C[6,6]C[6])(CH3)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H){1|B<3>,1|N<2>,3|C<3>,3|H<1>}	N(C[6]C[6,6]C[6])(CH3)2	118.9990	0.000	1	118.9990	0.000	1	118.9990	0.000	1	118.9990	0.000	1	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	3:4:4:3:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	N[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]C)(NHH)	C[6,6](N[6]C[6a]C[6])(C[6]C[6]HH)2(C[6]C[6]N)	N(C[6]C[6,6]C[6])(H)2	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[6,6](N[6]C[6a]C[6])(C[6]C[6]HH)2(C[6]C[6]N){1|C<2>,2|C<3>,4|C<4>,4|H<1>}	N(C[6]C[6,6]C[6])(H)2	115.5650	0.000	1	115.5650	0.000	1	115.5650	0.000	1	115.5650	0.000	1	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	4:3:3:1:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH)	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H)	N(C[6]C[6,6]C[6])(H)2	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[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	N(C[6]C[6,6]C[6])(H)2	114.3990	0.000	1	114.3990	0.000	1	114.3990	0.000	1	114.3990	0.000	1	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	4:3:3:3:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(C[6]N[6]O)2	N(C[6]C[6,6]C[6])(H)2	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[6,6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(C[6]N[6]O)2{1|C<2>,1|H<1>,3|C<4>,4|C<3>}	N(C[6]C[6,6]C[6])(H)2	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	4:3:4:1:	3:1:1:	C[6,6]-4:C[5,6]-3:N-3:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	N(C[6]C[5,6]C[6,6])(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>}	N(C[6]C[5,6]C[6,6])(O)2	119.3470	0.000	1	119.3470	0.000	1	119.3470	0.000	1	119.3470	0.000	1	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	4:4:3:1:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]H)(NOO)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]H)(NOO){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N(C[6]C[6,6]C[6])(O)2	116.7400	0.000	1	116.7400	0.000	1	116.7400	0.000	1	117.3660	0.784	2	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	4:4:3:1:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]N)(NOO)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H)	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N(C[6]C[6,6]C[6])(O)2	117.9920	0.000	1	117.9920	0.000	1	117.9920	0.000	1	117.3660	0.784	2	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6,6]	N	4:3:3:	4:4:4:3:	3:1:1:	C[6,6]-4:N[6]-3:N-3:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6]3)(N[6]C[6]O)(NHH)	C[6,6](C[6]C[6]HH)3(C[6]N[6]N)	N(C[6]C[6,6]N[6])(H)2	C[6](C[6,6]C[6]3)(N[6]C[6]O)(NHH){3|C<4>,8|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]N[6]N){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N(C[6]C[6,6]N[6])(H)2	120.1320	0.000	1	120.1320	0.000	1	120.1320	0.000	1	120.1320	0.000	1	117.5980	2.725	22	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	2:3:4:1:	3:1:1:	C[6]-3:C[6]-4:N-3:	S[6]-2:C[6]-3:C-4:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]H)(C[6]S[6]CH)(NOO)	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]H)(C[6]S[6]CH)(NOO){2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(O)2	114.8700	0.000	1	114.8700	0.000	1	114.8700	0.000	1	114.8700	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	3:3:1:1:	3:1:1:	C[5,6]-3:C[6]-4:N-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]N[5,6]N[5])(C[6]N[6]HH)(NOO)	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2	N(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]N[5,6]N[5])(C[6]N[6]HH)(NOO){5|C<4>}	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N(C[6]C[5,6]C[6])(O)2	115.9390	1.669	2	115.9390	2.785	2	115.9390	2.785	2	114.5113	7.507	3	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	3:3:1:1:	3:1:1:	C[6]-3:C[6]-4:N-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]S)(H)2	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(NOO){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2)(O)2	111.6560	0.000	1	111.6560	0.000	1	111.6560	0.000	1	114.5113	7.507	3	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C-3:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2	N(C[6]C[5,6]C[6])(CC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[5,6]C[6])(CC[6a]O)(H)	122.8160	0.000	1	122.8160	0.000	1	122.8160	0.000	1	122.8160	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	3:3:3:1:	3:1:1:	C[6,6]-3:C[6]-4:N-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO)	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO){2|C<4>,4|C<3>}	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	N(C[6]C[6,6]C[6])(O)2	116.3340	0.000	1	116.3340	0.000	1	116.3340	0.000	1	116.3340	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	3:4:1:1:	3:1:1:	C[5,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]CH)(H)2	N(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]N)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	N(C[6]C[5,6]C[6])(O)2	117.7080	0.000	1	117.7080	0.000	1	117.0760	0.412	3	117.0760	0.412	3	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	3:4:1:1:	3:1:1:	C[5,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2	N(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO){2|H<1>,4|C<4>}	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|N<3>}	N(C[6]C[5,6]C[6])(O)2	116.7600	0.475	2	116.7600	0.226	2	117.0760	0.412	3	117.0760	0.412	3	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	4:3:1:1:	3:1:1:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NHH)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NHH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	115.5495	0.936	2	115.5495	0.875	2	115.5495	0.875	2	115.5495	0.875	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5a]H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	113.3650	0.000	1	113.3650	0.000	1	113.3650	0.000	1	115.7936	2.754	5	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.6320	0.000	1	116.3100	1.772	3	116.4008	1.214	4	115.7936	2.754	5	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	115.6490	0.960	2	116.3100	1.772	3	116.4008	1.214	4	115.7936	2.754	5	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.6730	0.000	1	116.6730	0.000	1	116.4008	1.214	4	115.7936	2.754	5	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	4:3:1:1:	3:4:4:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<4>,2|H<1>}	N(C[6]C[6]2)(CH3)2	115.2350	0.000	1	114.4765	1.151	2	114.4765	1.151	2	114.4765	1.151	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	4:3:1:1:	3:4:4:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<5>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<4>,2|H<1>}	N(C[6]C[6]2)(CH3)2	113.7180	0.000	1	114.4765	1.151	2	114.4765	1.151	2	114.4765	1.151	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	4:3:2:2:	3:1:1:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	115.0410	0.000	1	115.0410	0.000	1	115.0410	0.000	1	115.0410	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	4:3:3:1:	3:1:1:	C[5,6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(NOO)	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H)	N(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(NOO){1|S<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	N(C[6]C[5,6]C[6])(O)2	118.7710	0.000	1	118.7710	0.000	1	118.7710	0.000	1	116.6035	9.396	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	4:3:3:1:	3:1:1:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]CH)(NOO)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[5,5,6]H)(C[6]C[6]CH)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(O)2	114.4360	0.000	1	114.4360	0.000	1	114.4360	0.000	1	116.6035	9.396	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	4:3:4:4:	3:2:1:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[5,6]N)(C[6]C[6]CC)(NOO)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CH3)2	N(C[6]C[6]2)(OH)(O)	C[6](C[6]N[5,6]N)(C[6]C[6]CC)(NOO){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,1|N<2>,2|N<3>}	N(C[6]C[6]2)(OH)(O)	118.5900	0.000	1	118.5900	0.000	1	118.5900	0.000	1	118.5900	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:2:3:	3:3:1:1:	3:3:4:	C[6]-4:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6])(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)2	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H)2{1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	119.0530	0.000	1	119.0530	0.000	1	119.0530	0.000	1	119.0530	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:2:3:	3:3:4:4:	3:1:1:	C[6]-4:N[6]-2:N-3:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NHH){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2{1|H<1>,3|C<3>}	N(C[6]C[6]N[6])(H)2	116.3350	0.139	2	116.3350	0.019	2	116.3350	0.019	2	117.1868	1.260	4	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:2:3:	3:3:4:4:	3:1:1:	C[6]-4:N[6]-2:N-3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(CCCH)2	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(CCCH)2{1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	118.0385	0.927	2	118.0385	0.859	2	118.0385	0.859	2	117.1868	1.260	4	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:2:2:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]O[6]HO)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H)	N(C[6]C[6]2)(O)2	C[6](C[6]O[6]HO)(C[6]C[6]H)(NOO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	N(C[6]C[6]2)(O)2	114.9920	0.000	1	114.9920	0.000	1	114.9920	0.000	1	114.9920	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:2:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	N(C[6]C[6]2)(O)2	116.0390	0.000	1	116.0390	0.000	1	116.0390	0.000	1	115.0940	1.003	5	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:2:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|Br<1>,2|H<1>,4|C<3>}	N(C[6]C[6]2)(O)2	114.6780	1.352	2	114.8577	0.966	4	114.8577	0.966	4	115.0940	1.003	5	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:2:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|N<2>,3|C<3>,3|H<1>}	N(C[6]C[6]2)(O)2	115.7230	0.000	1	114.8577	0.966	4	114.8577	0.966	4	115.0940	1.003	5	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:2:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	N(C[6]C[6]2)(O)2	114.3520	0.000	1	114.8577	0.966	4	114.8577	0.966	4	115.0940	1.003	5	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:1:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO){3|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N(C[6]C[6]2)(O)2	115.5280	2.007	2	115.5280	4.027	2	115.5280	4.027	2	115.5280	4.027	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|N<3>}	N(C[6]C[6]2)(NCH)(H)	115.4240	0.000	1	115.4240	0.000	1	115.4240	0.000	1	116.6410	2.962	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	P[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](P[6]N[6]Cl)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H){1|Cl<1>,1|C<4>,1|N<3>}	C[6](P[6]N[6]Cl)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.8580	0.000	1	117.8580	0.000	1	117.8580	0.000	1	116.6410	2.962	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:2:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N(C[6]C[6]2)(O)2	116.7440	0.286	2	116.7440	0.082	2	116.7440	0.082	2	116.7440	0.082	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	N(C[6]C[6]2)(O)2	117.3700	0.000	1	117.0888	0.119	5	117.0888	0.119	5	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2)(O)2	117.0185	0.354	4	117.0888	0.119	5	117.0888	0.119	5	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,3|O<2>}	N(C[6]C[6]2)(O)2	116.1540	0.206	3	116.5235	0.227	6	116.5235	0.227	6	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	N(C[6]C[6]2)(O)2	117.0410	0.000	1	116.5235	0.227	6	116.5235	0.227	6	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	N(C[6]C[6]2)(O)2	117.1350	0.000	1	116.5235	0.227	6	116.5235	0.227	6	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	N(C[6]C[6]2)(O)2	116.5030	0.000	1	116.5235	0.227	6	116.5235	0.227	6	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]N)2(CCN)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)2(CCN)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(O)2	117.2660	0.298	2	117.2660	0.089	2	117.2660	0.089	2	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N(C[6]C[6]2)(O)2	114.4990	0.000	1	114.4990	0.000	1	116.1964	0.916	14	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	N(C[6]C[6]2)(O)2	115.8610	0.000	1	116.7860	0.633	4	116.1964	0.916	14	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	N(C[6]C[6]2)(O)2	116.3940	0.000	1	116.7860	0.633	4	116.1964	0.916	14	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){2|C<3>,2|H<1>,3|N<3>}	N(C[6]C[6]2)(O)2	117.4445	0.148	2	116.7860	0.633	4	116.1964	0.916	14	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	N(C[6]C[6]2)(O)2	114.6110	0.000	1	115.2845	0.907	2	116.1964	0.916	14	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	N(C[6]C[6]2)(O)2	115.9580	0.000	1	115.2845	0.907	2	116.1964	0.916	14	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO){1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(O)2	116.3624	0.705	7	116.3624	0.497	7	116.1964	0.916	14	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO){1|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N(C[6]C[6]2)(O)2	117.0340	0.000	1	117.0340	0.000	1	117.0340	0.000	1	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(O)2	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(NOO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(NOO){1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H){3|H<1>,4|C<3>}	N(C[6]C[6]2)(O)2	117.4340	0.000	1	117.4340	0.000	1	117.4340	0.000	1	116.4184	1.280	30	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:4:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N(C[6]C[6]2)(O)2	116.7545	0.019	2	116.7545	0.000	2	116.7545	0.000	2	116.7545	0.000	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:4:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	N(C[6]C[6]2)(H)2	114.7225	0.105	2	114.7225	0.011	2	114.7225	0.011	2	114.7225	0.011	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:4:4:	3:4:1:	C[6]-4:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:P-4:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)2	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)2{1|Ni<4>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(PNiCC)(H)	120.0750	0.000	1	120.0750	0.000	1	119.4802	0.267	4	119.4802	0.267	4	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:4:4:	3:4:1:	C[6]-4:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:P-4:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(PNiCC)(H)	119.3745	0.527	2	119.3745	0.278	2	119.4802	0.267	4	119.4802	0.267	4	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:4:4:	3:4:1:	C[6]-4:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:P-4:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)2	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)2{1|Ni<4>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(PNiCC)(H)	119.0970	0.000	1	119.0970	0.000	1	119.4802	0.267	4	119.4802	0.267	4	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:4:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(NOO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,2|C<3>,5|H<1>}	N(C[6]C[6]2)(O)2	115.4720	0.000	1	115.4720	0.000	1	115.7370	0.140	2	115.7370	0.140	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:4:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N(C[6]C[6]2)(O)2	116.0020	0.000	1	116.0020	0.000	1	115.7370	0.140	2	115.7370	0.140	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-4:C[6]-3:F-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F){1|C<4>,2|C<3>,5|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:2:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[5]-4:O[6]-2:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[5]C[5]2Fe)(O[6]C[6,6a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]H)(NOO){1|Fe<10>,2|C<3>,2|C<4>}	C[6](C[5]C[5]2Fe)(O[6]C[6,6a])(C[6]C[6]N)(H){2|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6]2)(O)2	116.9780	0.000	1	116.9780	0.000	1	116.9780	0.000	1	116.9780	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH){1|O<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	N(C[6]C[6]2)(H)2	114.3475	0.633	2	114.3475	0.401	2	114.3475	0.401	2	116.1650	3.776	5	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2)(H)2	116.0170	0.000	1	116.0170	0.000	1	116.6975	0.926	2	116.1650	3.776	5	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|C<4>,4|C<3>}	N(C[6]C[6]2)(H)2	117.3780	0.000	1	117.3780	0.000	1	116.6975	0.926	2	116.1650	3.776	5	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:1:1:	C[6]-4:N[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(NHH)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(NHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N(C[6]C[6]N[6])(H)2	118.7350	0.000	1	118.7350	0.000	1	118.7350	0.000	1	116.1650	3.776	5	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:N[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NHO)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	N(C[6]C[6]N[6])(OFe)(H)	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NHO){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Fe<6>,1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(OFe)(H)	123.3620	0.000	1	123.9390	0.276	3	123.9390	0.276	3	123.9390	0.276	3	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:N[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NHO)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	N(C[6]C[6]N[6])(OFe)(H)	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NHO){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Fe<6>,1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(OFe)(H)	124.2275	0.231	2	123.9390	0.276	3	123.9390	0.276	3	123.9390	0.276	3	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>,3|O<2>}	N(C[6]C[6]2)(COO)(H)	118.9140	0.000	1	118.9140	0.000	1	118.9140	0.000	1	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	N(C[6]C[6]2)(COO)(H)	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	N(C[5]C[5,6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5]O){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|O<2>}	N(C[5]C[5,6a]2)(C[6]C[6]2)(O)	114.6450	0.000	1	114.6450	0.000	1	114.6450	0.000	1	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[5a]C[5a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[5a]C[5a]2)(C[6]C[6]2)(H)	115.6850	0.000	1	115.6850	0.000	1	114.2686	0.998	5	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	N(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	113.9145	0.703	4	113.9145	0.495	4	114.2686	0.998	5	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	113.5970	0.000	1	113.5970	0.000	1	113.5970	0.000	1	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	113.4570	0.000	1	113.4570	0.000	1	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	112.1413	0.738	3	115.1141	3.542	12	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.1050	0.562	9	115.1141	3.542	12	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	113.4030	0.000	1	115.3246	1.395	5	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	115.8050	0.567	4	115.3246	1.395	5	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|C<4>,4|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.4227	0.535	10	119.4227	0.286	10	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	115.8730	0.000	1	115.8730	0.000	1	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	114.2852	0.555	9	114.2852	0.308	9	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	113.8340	0.000	1	113.8340	0.000	1	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	113.7760	0.000	1	114.1140	1.067	5	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	114.1985	1.172	4	114.1140	1.067	5	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|I<1>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.6560	0.000	1	118.6560	0.000	1	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.7540	0.000	1	122.7540	0.000	1	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.6810	0.000	1	120.6810	0.000	1	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|S<2>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.6665	0.349	2	119.6665	0.122	2	116.2438	7.017	49	115.9705	6.877	58	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	117.1410	0.000	1	117.1410	0.000	1	117.1410	0.000	1	117.1410	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:S-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NHS)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NHS){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N(C[6]C[6]2)(SC[6a]OO)(H)	112.8080	0.000	1	112.8080	0.000	1	112.8080	0.000	1	115.5982	1.421	13	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|Br<1>,1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	118.0590	0.000	1	118.0590	0.000	1	115.8307	0.783	12	115.5982	1.421	13	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	115.6340	0.000	1	115.6340	0.000	1	115.8307	0.783	12	115.5982	1.421	13	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]2)(CCHH)(H)	115.5110	0.000	1	115.5110	0.000	1	115.8307	0.783	12	115.5982	1.421	13	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]2)(CH3)(H)	115.4570	0.000	1	115.4570	0.000	1	115.8307	0.783	12	115.5982	1.421	13	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(CC[6a]CH)(H)	116.5510	0.000	1	116.5510	0.000	1	115.8307	0.783	12	115.5982	1.421	13	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]N)(H)2{1|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(CCHH)(H)	115.1000	0.000	1	115.1000	0.000	1	115.8307	0.783	12	115.5982	1.421	13	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	N(C[6]C[6]2)(CCCH)(H)	115.5247	0.755	3	115.5247	0.570	3	115.8307	0.783	12	115.5982	1.421	13	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	116.4260	0.000	1	116.4260	0.000	1	115.8307	0.783	12	115.5982	1.421	13	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	N(C[6]C[6]2)(CCHH)(H)	115.1970	0.000	1	115.1970	0.000	1	115.8307	0.783	12	115.5982	1.421	13	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CC[6a]CH)(H)	115.4590	0.000	1	115.4590	0.000	1	115.8307	0.783	12	115.5982	1.421	13	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CC[6a]HH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,3|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(CCO)	116.4300	0.000	1	116.4300	0.000	1	116.4300	0.000	1	116.4300	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	114.8540	0.434	2	114.8540	0.188	2	114.8540	0.188	2	114.8540	0.188	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:2:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]C)(NHH)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]N)(CN)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[5,6]C)(NHH){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]N)(CN)2{1|C<2>,1|C<3>,3|C<4>,5|H<1>}	N(C[6]C[6]2)(H)2	116.1430	0.000	1	116.1430	0.000	1	116.6017	0.158	3	116.3154	1.251	7	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:2:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH){4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N(C[6]C[6]2)(H)2	116.8310	0.000	2	116.8310	0.000	2	116.6017	0.158	3	116.3154	1.251	7	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:2:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|S<2>,3|C<3>}	N(C[6]C[6]2)(H)2	114.8340	0.584	2	114.8340	0.341	2	116.1008	2.254	4	116.3154	1.251	7	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:2:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(CN)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(CN)2{1|C<2>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	117.3910	0.000	1	117.3910	0.000	1	116.1008	2.254	4	116.3154	1.251	7	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:2:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2{1|C<2>,4|C<3>}	N(C[6]C[6]2)(H)2	117.3440	0.000	1	117.3440	0.000	1	116.1008	2.254	4	116.3154	1.251	7	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6]-4:C[5a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]C[5a]H)(C[6]O[6]H)(NOO)	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]C[5a]H)(C[6]O[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2)(O)2	118.5960	0.000	1	118.5960	0.000	1	118.5960	0.000	1	116.5545	8.335	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(NOO)	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(NOO){1|O<2>,5|C<3>}	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,4|C<3>}	N(C[6]C[6]2)(O)2	114.5130	0.000	1	114.5130	0.000	1	114.5130	0.000	1	116.5545	8.335	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:4:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|N<3>,3|H<1>}	N(C[6]C[6]2)(O)2	119.4000	0.000	1	119.4000	0.000	1	119.4000	0.000	1	119.4000	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:4:1:	3:4:3:	C[6]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C-4:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H)	N(C[6]C[6]2)(CCHH)(COO)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N(C[6]C[6]2)(CCHH)(COO)	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:4:3:	3:3:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,1|W<7>,2|H<1>}	N(C[6]C[6]2)(CH3)2	117.8090	0.000	1	117.8090	0.000	1	117.8090	0.000	1	117.8090	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:4:3:	4:3:1:1:	3:2:1:	C[5,6]-4:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NHO)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	N(C[6]C[5,6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NHO){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{2|H<1>,3|C<4>}	N(C[6]C[5,6]C[6])(OH)(H)	125.4770	0.081	2	125.4770	0.006	2	125.4770	0.006	2	125.4770	0.006	2	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:4:3:	4:3:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:B-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CC[6a]HH)(BF3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(BF3)	123.8390	0.000	1	123.8390	0.000	1	123.8390	0.000	1	119.7427	16.389	3	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:4:3:	4:3:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC){1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,1|W<7>,2|H<1>}	N(C[6]C[6]2)(CH3)2	119.6450	0.000	1	119.6450	0.000	1	117.6945	7.609	2	119.7427	16.389	3	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:4:3:	4:3:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC)	C[6](C[6]C[6]ClH)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC){1|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|W<7>,2|H<1>}	N(C[6]C[6]2)(CH3)2	115.7440	0.000	1	115.7440	0.000	1	117.6945	7.609	2	119.7427	16.389	3	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:4:3:	4:3:4:1:	3:4:4:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C-4:B-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	N(C[6]C[6]2)(CC[6a]HH)(BF3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(BF3)	122.3060	0.000	1	122.3060	0.000	1	122.3060	0.000	1	122.3060	0.000	1	116.4970	6.345	183	116.7307	6.604	210
762	466	956	0:SP2_SP3_SP3	C[6,6]	C[3x6]	N	4:3:3:	4:3:3:2:	3:1:1:	C[3x6]-4:C[6,6]-3:N-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-2:	C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(CN)	N(C[6,6]C[3x6]C[6,6])(H)2	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[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(CN){1|C<2>,1|C<4>,2|H<1>}	N(C[6,6]C[3x6]C[6,6])(H)2	119.5170	0.000	1	119.5170	0.000	1	119.5170	0.000	1	119.5170	0.000	1	119.5170	0.000	1	115.8627	3.734	7
762	466	956	0:SP2_SP3_SP3	C[6]	C[6]	N	3:4:3:	4:3:2:2:	3:1:1:	C[6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	114.4970	0.000	1	114.4970	0.000	1	114.4970	0.000	1	114.4970	0.000	1	115.2537	1.365	6	115.8627	3.734	7
762	466	956	0:SP2_SP3_SP3	C[6]	C[6]	N	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CC[6a]CH)(H)	117.4910	0.000	1	117.4910	0.000	1	117.4910	0.000	1	117.4910	0.000	1	115.2537	1.365	6	115.8627	3.734	7
762	466	956	0:SP2_SP3_SP3	C[6]	C[6]	N	4:3:3:	4:3:2:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:S-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	N(C[6]C[6]2)(SCOO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){2|C<4>,2|H<1>}	N(C[6]C[6]2)(SCOO)(H)	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	115.2537	1.365	6	115.8627	3.734	7
762	466	956	0:SP2_SP3_SP3	C[6]	C[6]	N	4:3:3:	4:3:2:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N(C[6]C[6]2)(H)2	115.4730	0.000	1	115.4730	0.000	1	115.4730	0.000	1	114.9960	0.273	3	115.2537	1.365	6	115.8627	3.734	7
762	466	956	0:SP2_SP3_SP3	C[6]	C[6]	N	4:3:3:	4:3:2:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(H)2	114.7575	0.452	2	114.7575	0.204	2	114.7575	0.204	2	114.9960	0.273	3	115.2537	1.365	6	115.8627	3.734	7
762	466	961	0:SP2_SP3_SP3	C[6,6]	C[6]	S[6]	3:4:4:	3:3:3:1:	3:2:1:1:	C[6,6]-3:C[6]-4:S[6]-4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	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](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|O<2>}	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>}	117.8850	0.000	1	117.8850	0.000	1	117.8850	0.000	1	117.8850	0.000	1	117.8850	0.000	1	117.8850	0.000	1
762	466	961	6:SP2_SP3_SP3	C[6,6]	C[6,6]	S[6]	4:4:3:	3:4:3:1:	3:3:1:1:	C[6,6]-4:S[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3: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[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(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[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	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>}	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6,6]	S	3:4:1:	4:3:4:3:	3:	N[6]-3:C[6,6]-4:S-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(S)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]S)	S(C[6]C[6,6]N[6])	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(S){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]S){4|H<1>,6|C<3>}	S(C[6]C[6,6]N[6])	122.5150	0.000	1	122.5150	0.000	1	122.5150	0.000	1	122.5150	0.000	1	121.7300	1.232	2	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6,6]	S	4:3:1:	4:4:3:1:	3:	C[6,6]-4:N[6]-3:S-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(S)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H)	S(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(S){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	S(C[6]C[6,6]N[6])	120.9450	0.000	1	120.9450	0.000	1	120.9450	0.000	1	120.9450	0.000	1	121.7300	1.232	2	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	3:4:1:	3:4:1:1:	3:	C[5a,6]-3:C[6]-4:S-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(S)	C[6](C[6]C[5a,6]S)(C[6]C[6]HH)(H)2	S(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	S(C[6]C[5a,6]C[6])	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	119.2633	2.522	3	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	3:4:1:	3:4:1:1:	3:	N[5,6]-3:C[6]-4:S-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(S)	C[6](C[6]N[5,6]S)(C[6]C[6]HH)(H)2	S(C[6]N[5,6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]S)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	S(C[6]N[5,6]C[6])	120.5650	0.000	1	120.5650	0.000	1	120.5650	0.000	1	119.2633	2.522	3	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	3:4:1:	3:4:1:1:	3:	N[6,6]-3:C[6]-4:S-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(S)	C[6](C[6]N[6,6]S)(C[6]C[6]HH)(H)2	S(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(S){4|C<4>,4|H<1>}	C[6](C[6]N[6,6]S)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	S(C[6]N[6,6]C[6])	117.4940	0.000	1	117.4940	0.000	1	117.4940	0.000	1	119.2633	2.522	3	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	3:4:1:	4:3:1:1:	3:	N[5,6]-3:C[6]-4:S-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(S)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]S)(H)2	S(C[6]N[5,6]C[6])	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(S){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]S)(H)2{4|C<4>}	S(C[6]N[5,6]C[6])	120.9497	0.464	3	120.9497	0.215	3	120.9497	0.215	3	120.5328	0.467	5	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	3:4:1:	4:3:1:1:	3:	N[6]-3:C[6]-4:S-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(S)	C[6](C[6]C[6,6]HH)(C[6]N[6]S)(H)2	S(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(S){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	S(C[6]C[6]N[6])	119.9075	0.367	2	119.9075	0.135	2	119.9075	0.135	2	120.5328	0.467	5	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	3:4:1:	4:3:3:1:	3:	N[5,6]-3:C[6]-4:S-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(S)	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H)	S(C[6]N[5,6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	S(C[6]N[5,6]C[6])	122.5970	0.000	1	122.5970	0.000	1	122.5970	0.000	1	122.4910	0.022	2	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	3:4:1:	4:3:3:1:	3:	N[6]-3:C[6]-4:S-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(S)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H)	S(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(S){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H){5|C<3>}	S(C[6]C[6]N[6])	122.3850	0.000	1	122.3850	0.000	1	122.3850	0.000	1	122.4910	0.022	2	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:2:1:	3:2:4:1:	3:	C[6]-4:O[6]-2:S-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:	C[6](C[6]O[6]CH)(O[6]C[6])(S)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	S(C[6]C[6]O[6])	C[6](C[6]O[6]CH)(O[6]C[6])(S){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	S(C[6]C[6]O[6])	125.8395	0.572	2	125.6310	0.349	4	125.6310	0.349	4	125.6310	0.349	4	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:2:1:	3:2:4:1:	3:	C[6]-4:O[6]-2:S-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:	C[6](C[6]O[6]CH)(O[6]C[6])(S)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	S(C[6]C[6]O[6])	C[6](C[6]O[6]CH)(O[6]C[6])(S){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	S(C[6]C[6]O[6])	125.4225	0.739	2	125.6310	0.349	4	125.6310	0.349	4	125.6310	0.349	4	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:2:1:	3:3:3:4:	3:	C[6]-4:S[6]-2:S-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3)	S(C[6]C[6]S[6])	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3){2|H<1>,3|C<3>}	S(C[6]C[6]S[6])	125.3720	0.000	1	125.3720	0.000	1	125.3720	0.000	1	125.3720	0.000	1	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:2:1:	3:3:4:4:	3:	C[6]-4:O[6]-2:S-1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-3:	C[6](C[6]N[6]CC)(O[6]C[6])(S)	C[6](C[6]O[6]S)(N[6]C[6]H)(CH3)2	S(C[6]C[6]O[6])	C[6](C[6]N[6]CC)(O[6]C[6])(S){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]S)(N[6]C[6]H)(CH3)2{1|C<4>,1|S<1>}	S(C[6]C[6]O[6])	121.9705	1.027	2	121.9705	1.056	2	121.9705	1.056	2	121.9705	1.056	2	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	3:3:3:4:	3:	C[6]-4:N[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH)	S(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	S(C[6]C[6]N[6])	121.6240	0.000	1	121.6240	0.000	1	123.1544	0.989	8	123.1544	0.989	8	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	3:3:3:4:	3:	C[6]-4:N[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3)	S(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3){2|C<4>,2|H<1>,3|C<3>}	S(C[6]C[6]N[6])	122.9518	0.529	4	122.9518	0.280	4	123.1544	0.989	8	123.1544	0.989	8	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	3:3:3:4:	3:	C[6]-4:N[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	S(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	S(C[6]C[6]N[6])	122.9920	0.000	1	123.9280	1.752	2	123.1544	0.989	8	123.1544	0.989	8	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	3:3:3:4:	3:	C[6]-4:N[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	S(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	S(C[6]C[6]N[6])	124.8640	0.000	1	123.9280	1.752	2	123.1544	0.989	8	123.1544	0.989	8	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	3:3:3:4:	3:	C[6]-4:N[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH)	S(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|S<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	S(C[6]C[6]N[6])	123.9480	0.000	1	123.9480	0.000	1	123.1544	0.989	8	123.1544	0.989	8	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	3:3:4:4:	3:	C[6]-4:N[6]-3:S-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)2(CC[6a]HH)(CH3)	S(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]C)(S){1|N<3>,2|S<1>}	C[6](C[6]N[6]S)2(CC[6a]HH)(CH3){1|C<3>,2|C<4>}	S(C[6]C[6]N[6])	120.7290	0.081	2	120.7290	0.006	2	120.7290	0.006	2	120.7290	0.006	2	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	3:4:2:1:	3:	C[6]-4:N[6]-3:S-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-3:	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	S(C[6]C[6]N[6])	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	S(C[6]C[6]N[6])	117.9030	0.000	1	118.2707	0.671	3	118.2707	0.671	3	118.2707	0.671	3	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	3:4:2:1:	3:	C[6]-4:N[6]-3:S-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-3:	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	S(C[6]C[6]N[6])	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|S<1>}	S(C[6]C[6]N[6])	118.4545	1.067	2	118.2707	0.671	3	118.2707	0.671	3	118.2707	0.671	3	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	4:3:1:1:	3:	C[6]-4:N[6]-3:S-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(S)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]S)(H)2	S(C[6]C[6]N[6])	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(S){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]S)(H)2{2|H<1>,4|C<4>}	S(C[6]C[6]N[6])	117.1500	0.000	1	117.1500	0.000	1	117.1500	0.000	1	119.2578	6.352	4	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	4:3:1:1:	3:	C[6]-4:N[6]-3:S-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(S)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)2	S(C[6]C[6]N[6])	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	S(C[6]C[6]N[6])	121.4395	0.059	2	121.4395	0.003	2	121.4395	0.003	2	119.2578	6.352	4	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	4:3:1:1:	3:	C[6]-4:N[6]-3:S-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(S)	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2	S(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(S){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	S(C[6]C[6]N[6])	117.0020	0.000	1	117.0020	0.000	1	117.0020	0.000	1	119.2578	6.352	4	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	4:3:2:1:	3:	C[6]-4:N[6]-3:S-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:	C[6](C[6]C[6]HO)(N[6]C[6]C)(S)	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H)	S(C[6]C[6]N[6])	C[6](C[6]C[6]HO)(N[6]C[6]C)(S){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H){2|C<4>,2|H<1>}	S(C[6]C[6]N[6])	117.0480	0.000	1	117.0480	0.000	1	117.0480	0.000	1	117.0480	0.000	1	121.4457	6.893	36	121.4607	6.558	38
762	466	977	0:SP2_SP-NON_SP3	C[6]	C[6]	S	4:3:1:	4:3:4:1:	3:	C[6]-4:N[6]-3:S-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(S)	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H)	S(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(S){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H){2|C<4>,2|H<1>}	S(C[6]C[6]N[6])	119.1880	0.000	1	119.1880	0.000	1	119.1880	0.000	1	119.1880	0.000	1	121.4457	6.893	36	121.4607	6.558	38
762	466	983	0:SP2_SP1_SP3	C[6,6]	C[3x6]	C	4:3:2:	4:3:2:4:	3:1:	C[3x6]-4:C[6,6]-3:C-2:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C-4:	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[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3)	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[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3){1|N<3>,1|O<2>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(N)	122.4375	0.016	2	122.4375	0.000	2	122.4375	0.000	2	122.4375	0.000	2	121.8870	1.318	6	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6,6]	C[3x6]	C	4:3:2:	4:3:3:1:	3:1:	C[3x6]-4:C[6,6]-3:C-2:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	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[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	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[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6])(N)	122.5925	0.861	2	122.5925	0.741	2	122.5925	0.741	2	122.5925	0.741	2	121.8870	1.318	6	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6,6]	C[3x6]	C	4:3:2:	4:3:3:1:	3:2:	C[3x6]-4:C[6,6]-3:C-2:	C[4,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	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[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	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[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(CC[6a])	120.6310	1.045	2	120.6310	1.092	2	120.6310	1.092	2	120.6310	1.092	2	121.8870	1.318	6	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6,6]	C	4:3:2:	3:3:3:1:	3:1:	C[6,6]-4:C[6]-3:C-2:	N[6]-3:N[6,6]-3: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[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[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[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6]C[6])(N)	117.3020	0.000	1	117.3020	0.000	1	117.3020	0.000	1	117.3020	0.000	1	120.2498	6.346	5	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6,6]	C	4:3:2:	4:4:3:1:	3:1:	C[6,6]-4:C[6]-3:C-2:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	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[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C(C[6]C[6,6]C[6])(N)	117.9260	0.000	1	119.5955	5.574	2	119.5955	5.574	2	119.5955	5.574	2	120.2498	6.346	5	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6,6]	C	4:3:2:	4:4:3:1:	3:1:	C[6,6]-4:C[6]-3:C-2:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	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[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,2|C<4>,2|N<3>,3|H<1>}	C(C[6]C[6,6]C[6])(N)	121.2650	0.000	1	119.5955	5.574	2	119.5955	5.574	2	119.5955	5.574	2	120.2498	6.346	5	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6,6]	C	4:4:2:	4:4:3:2:	3:3:	C[6,6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CC)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6,6]C[6])(CCH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CC){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	C(C[6]C[6,6]C[6])(CCH)	122.3780	1.097	2	122.3780	1.204	2	122.3780	1.204	2	122.3780	1.204	2	120.2498	6.346	5	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:2:1:1:	3:3:	C[6,6a]-3:C[6]-4:C-2:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CC[6])	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2	C(C[6]C[6,6a]C[6])(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CC[6]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(C[6]C[6]2)	120.9560	0.000	1	120.9560	0.000	1	120.9560	0.000	1	120.9560	0.000	1	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:3:1:1:	3:1:	C[6]-3:C[6]-4:C-2:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	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[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C(C[6]C[6]2)(N)	119.5550	0.000	1	119.5810	0.015	3	119.5810	0.015	3	117.4398	8.619	5	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:3:1:1:	3:1:	C[6]-3:C[6]-4:C-2:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	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](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C(C[6]C[6]2)(N)	119.5940	0.171	2	119.5810	0.015	3	119.5810	0.015	3	117.4398	8.619	5	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:3:1:1:	3:1:	C[6]-3:C[6]-4:C-2:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N-1:	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	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](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(N)	114.0530	0.000	1	114.2280	0.061	2	114.2280	0.061	2	117.4398	8.619	5	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:3:1:1:	3:1:	C[6]-3:C[6]-4:C-2:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N-1:	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	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](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<1>,1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]2)(N)	114.4030	0.000	1	114.2280	0.061	2	114.2280	0.061	2	117.4398	8.619	5	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:3:1:1:	3:3:	C[6,6a]-3:C[6]-4:C-2:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2	C(C[6]C[6,6a]C[6])(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(CC[6a]2)	118.5490	0.000	1	119.3295	1.218	2	119.3295	1.218	2	119.3295	1.218	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:3:1:1:	3:3:	C[6,6a]-3:C[6]-4:C-2:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2	C(C[6]C[6,6a]C[6])(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]2)	120.1100	0.000	1	119.3295	1.218	2	119.3295	1.218	2	119.3295	1.218	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:3:3:1:	3:1:	C[6,6]-3:C[6]-4:C-2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	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](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(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](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,2|C<3>,3|N<3>}	C(C[6]C[6,6]C[6])(N)	116.4310	0.000	1	116.4310	0.000	1	116.4310	0.000	1	116.4310	0.000	1	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:3:4:1:	3:1:	C[5,6]-3:C[6]-4:C-2:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:N-1:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CN)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CN){1|H<1>,2|C<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|N<3>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6])(N)	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:4:1:1:	3:3:	C[6,6a]-3:C[6]-4:C-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	C(C[6]C[6,6a]C[6])(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]2)	118.6660	0.000	1	118.6660	0.000	1	118.6660	0.000	1	118.6660	0.000	1	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:4:2:1:	3:3:	C[5a,6]-3:C[6]-4:C-2:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CC)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H)	C(C[6]C[5a,6]C[6])(CHH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5a,6]C[6])(CHH)	123.0710	0.000	1	123.0710	0.000	1	123.0710	0.000	1	123.0710	0.000	1	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	4:3:1:1:	3:1:	C[6]-3:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	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]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(N)	117.7400	0.000	1	117.7400	0.000	1	117.7400	0.000	1	117.7400	0.000	1	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	4:3:2:1:	3:1:	C[5,6]-3:C[6]-4:C-2:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-3:N-1:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	117.2590	0.000	1	117.2590	0.000	1	117.2590	0.000	1	115.8545	3.945	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	4:3:2:1:	3:1:	C[6]-3:C[6]-4:C-2:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-3:N-1:	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(CN)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H)	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[6]C[5,6]HH)(C[6]C[6]C)(CN)(H){1|H<1>,3|C<4>}	C(C[6]C[6]2)(N)	114.4500	0.000	1	114.4500	0.000	1	114.4500	0.000	1	115.8545	3.945	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:1:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	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](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C(C[6]C[6]2)(N)	115.8550	0.000	1	115.8550	0.000	1	115.8550	0.000	1	116.7362	1.555	4	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:1:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:D-1: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)(C[6]C[6]H)(D)(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)(C[6]C[6]H)(D)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N)	118.5810	0.000	1	118.5810	0.000	1	118.5810	0.000	1	116.7362	1.555	4	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:1:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1: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]C)(C[6]C[6]H)(H)2	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]C)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(N)	116.2545	0.146	2	116.2545	0.021	2	116.2545	0.021	2	116.7362	1.555	4	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:1:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:H-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)2(H)2	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)2(H)2{1|C<4>,1|F<1>,1|O<2>}	C(C[6]C[6]2)(CC[6a])	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	118.6263	0.547	3	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:1:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1: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)(C[6]C[6]H)(H)2	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)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>}	C(C[6]C[6]2)(NFe)	118.2070	0.199	2	118.2070	0.040	2	118.2070	0.040	2	118.6263	0.547	3	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:2:2:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C-2:	C[6](C[6]C[6]OO)(C[6]C[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2	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]C)(C[6]C[6]H)(OC)2{1|C<2>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6a])	116.2977	0.402	4	116.2977	0.162	4	116.2977	0.162	4	116.2977	0.162	4	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[5,6]-3:C-2:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C(C[6]C[5,6]C[6])(N)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C(C[6]C[5,6]C[6])(N)	117.5850	0.000	2	117.5850	0.000	2	117.5850	0.000	2	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[5,6]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C(C[6]C[5,6]C[6])(N)	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	117.7330	0.000	1	117.7330	0.000	1	117.7330	0.000	1	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6,6]-3:C-2:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	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](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(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](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C(C[6]C[6,6]C[6])(N)	116.9720	0.000	2	116.9720	0.000	2	116.9720	0.000	2	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C(C[6]C[6]2)(N)	115.6650	0.000	1	115.6650	0.000	1	116.7950	0.890	4	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(N)	117.6300	0.000	1	117.6300	0.000	1	116.7950	0.890	4	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2)(N)	116.9425	0.808	2	116.9425	0.653	2	116.7950	0.890	4	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C(C[6]C[6]2)(N)	114.6480	0.000	1	114.6480	0.000	1	116.4692	1.169	6	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C(C[6]C[6]2)(N)	116.7597	0.765	4	116.7597	0.586	4	116.4692	1.169	6	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	117.1280	0.000	1	117.1280	0.000	1	116.4692	1.169	6	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	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[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(N)	115.8950	0.300	2	116.6173	1.610	3	117.0478	1.815	4	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	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[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(N)	118.0620	0.000	1	116.6173	1.610	3	117.0478	1.815	4	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	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[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C(C[6]C[6]2)(N)	118.3390	0.000	1	118.3390	0.000	1	117.0478	1.815	4	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C(C[6]C[6]2)(N)	119.2420	0.955	2	118.7214	0.460	5	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C(C[6]C[6]2)(N)	118.2540	0.000	1	118.7214	0.460	5	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C(C[6]C[6]2)(N)	118.4345	0.042	2	118.7214	0.460	5	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6]2)(N)	117.2330	0.000	1	117.9939	0.568	22	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6]2)(N)	118.1970	0.000	1	117.9939	0.568	22	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(N)	118.3723	0.540	3	117.9939	0.568	22	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6]2)(N)	116.5990	0.000	1	117.9939	0.568	22	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(N)	117.8530	0.000	1	117.9939	0.568	22	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(N)	118.1381	0.764	13	117.9939	0.568	22	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	116.9760	0.000	1	117.9939	0.568	22	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(N)	118.0960	0.000	1	117.9939	0.568	22	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|O<2>}	C(C[6]C[6]2)(N)	118.0440	0.000	1	118.0440	0.000	1	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	118.4597	0.740	3	118.4597	0.547	3	118.1579	0.577	31	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H)	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](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C(C[6]C[6]2)(N)	118.3200	0.000	1	118.3200	0.000	1	118.3200	0.000	1	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H)	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](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(N)	118.2195	0.080	2	118.2195	0.006	2	118.2195	0.006	2	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	119.7250	0.000	1	118.3008	1.580	19	118.2820	1.253	26	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	118.1160	0.000	1	118.3008	1.580	19	118.2820	1.253	26	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C(C[6]C[6]2)(N)	117.8718	1.404	5	118.3008	1.580	19	118.2820	1.253	26	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	118.2714	1.138	10	118.3008	1.580	19	118.2820	1.253	26	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C(C[6]C[6]2)(N)	117.2900	0.000	1	118.3008	1.580	19	118.2820	1.253	26	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C(C[6]C[6]2)(N)	120.5120	0.000	1	118.3008	1.580	19	118.2820	1.253	26	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C(C[6]C[6]2)(N)	118.2310	0.691	7	118.2310	0.478	7	118.2820	1.253	26	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6a]-3: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[6]C[5,6]H)(C[6a]C[6a]2)(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[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2)(N)	116.9510	0.000	1	116.9510	0.000	1	117.2253	0.208	3	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(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)(H)	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](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,2|C<3>,3|N<3>}	C(C[6]C[6]2)(N)	116.9730	0.000	1	116.9730	0.000	1	117.2253	0.208	3	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:H-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[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C(C[6]C[6]2)(N)	117.7520	0.000	1	117.7520	0.000	1	117.2253	0.208	3	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	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](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[6]2)(N)	119.3160	0.778	2	119.3160	0.605	2	119.3160	0.605	2	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	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[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	116.3880	0.000	1	116.2830	0.800	4	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	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[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(N)	116.2480	1.092	3	116.2830	0.800	4	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(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[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6]2)(N)	114.6430	0.000	2	114.6430	0.000	2	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(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[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	115.4645	1.206	2	115.4645	1.454	2	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	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)2(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)2(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	115.5017	0.589	10	115.7655	1.078	11	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	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)2(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)2(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	118.4040	0.000	1	115.7655	1.078	11	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	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)(C[6]C[6]N)(H)	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)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	116.1511	1.001	7	116.1511	1.002	7	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	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)2(H)	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)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(N)	116.0530	0.000	1	116.0530	0.000	1	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[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]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	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[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(N)	117.6230	0.399	2	116.5606	1.162	5	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[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]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	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[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(N)	115.8523	0.602	3	116.5606	1.162	5	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[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](C[6a]C[6a]2)(C[6]C[6]C)2(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](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C(C[6]C[6]2)(N)	116.8675	1.040	2	116.8675	1.082	2	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[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]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	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[6a]C[6a]2)(C[6]C[6]C)2(H){2|C<3>,2|H<1>,3|N<3>}	C(C[6]C[6]2)(N)	120.3760	0.051	2	118.6094	1.849	8	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[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]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	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[6a]C[6a]2)(C[6]C[6]C)2(H){2|Cl<1>,1|S<2>,2|C<3>,2|N<3>}	C(C[6]C[6]2)(N)	117.1640	0.000	1	118.6094	1.849	8	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[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]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(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[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C(C[6]C[6]2)(N)	119.7150	0.000	1	118.6094	1.849	8	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[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]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	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](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C(C[6]C[6]2)(N)	117.8110	0.529	4	118.6094	1.849	8	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[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]S)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	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[6a]C[6a]2)(C[6]C[6]C)2(H){2|Cl<1>,1|S<2>,2|C<3>,2|N<3>}	C(C[6]C[6]2)(N)	116.0820	0.000	1	116.0820	0.000	1	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	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[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C(C[6]C[6]2)(N)	119.6823	0.664	6	119.6823	0.441	6	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	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[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	118.2224	1.131	7	118.1381	0.988	9	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	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[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(N)	117.9080	0.000	1	118.1381	0.988	9	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	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[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(N)	117.7780	0.000	1	118.1381	0.988	9	117.0812	2.930	58	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<2>,4|C<3>}	C(C[6]C[6]2)(N)	113.7650	0.000	1	113.7650	0.000	1	113.7650	0.000	1	117.5441	2.128	143	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C(C[6]C[6]2)(CC[6a])	115.4600	0.348	2	115.4600	0.121	2	115.4600	0.121	2	115.4600	0.121	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:3:4:	3:1:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-3:N-1:	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3)	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](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C(C[6]C[6]2)(N)	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:4:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5,6]-3:C[6]-3:B-4:H-1:	C[6]-3:N-1:	C[6](C[6]C[5,6]BH)(C[6]C[6]H)(CN)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(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[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(N)	117.4860	0.000	1	117.4860	0.000	1	117.4860	0.000	1	118.2313	1.894	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:4:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	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](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(N)	118.9120	0.086	2	118.9120	0.007	2	118.7343	0.068	4	118.2313	1.894	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:4:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	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](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(N)	118.5565	0.262	2	118.5565	0.069	2	118.7343	0.068	4	118.2313	1.894	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:4:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:B-4: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]C)(C[6]C[6]H)(BC[5]HH)(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]C)(C[6]C[6]H)(BC[5]HH)(H){1|C<2>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(N)	116.0525	0.049	2	116.0525	0.002	2	116.0525	0.002	2	118.2313	1.894	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:4:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:H-1:	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)2(CCCH)(H)	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)2(CCCH)(H){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(N)	120.4730	0.000	1	120.4730	0.000	1	119.7870	0.941	2	118.2313	1.894	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:4:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:H-1:	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)2(CCHH)(H)	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)2(CCHH)(H){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(N)	119.1010	0.000	1	119.1010	0.000	1	119.7870	0.941	2	118.2313	1.894	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:4:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-3:N[6]-3:C-4:H-1:	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]H)(CH3)(H)	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]H)(CH3)(H){1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(N)	118.2110	0.000	1	118.2110	0.000	1	118.2110	0.000	1	118.2313	1.894	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:4:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[6]-3:N-1:	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO)	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](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C(C[6]C[6]2)(N)	117.2910	0.000	1	117.2910	0.000	1	117.2910	0.000	1	117.9323	0.319	3	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:4:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-3:N-1:	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	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](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C(C[6]C[6]2)(N)	118.3540	0.000	1	118.2530	0.020	2	118.2530	0.020	2	117.9323	0.319	3	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:4:3:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-3:N-1:	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	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](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C(C[6]C[6]2)(N)	118.1520	0.000	1	118.2530	0.020	2	118.2530	0.020	2	117.9323	0.319	3	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:3:4:4:	3:1:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-3:N-1:	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3)	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](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C(C[6]C[6]2)(N)	117.3850	0.634	2	117.3850	0.401	2	117.3850	0.401	2	117.3850	0.401	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	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](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C(C[6]C[6]2)(N)	119.2523	0.877	4	119.2523	0.769	4	119.7786	0.769	8	118.4068	2.523	23	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	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](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	120.5750	0.740	2	120.5750	0.547	2	119.7786	0.769	8	118.4068	2.523	23	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	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](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C(C[6]C[6]2)(N)	120.1360	0.000	1	120.0350	0.020	2	119.7786	0.769	8	118.4068	2.523	23	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	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](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	119.9340	0.000	1	120.0350	0.020	2	119.7786	0.769	8	118.4068	2.523	23	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(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[6]N)(CN){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(N)	115.6290	0.656	2	115.6290	0.431	2	117.6752	1.932	15	118.4068	2.523	23	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	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]CH)(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[6a]O[6])(CN){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){2|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(N)	116.9260	0.000	1	116.9260	0.000	1	117.6752	1.932	15	118.4068	2.523	23	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	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]HH)(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[6a]O[6])(CN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(N)	115.6180	0.000	1	117.0183	2.049	3	117.6752	1.932	15	118.4068	2.523	23	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	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]HH)(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[6a]O[6])(CN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C(C[6]C[6]2)(N)	117.7185	1.076	2	117.0183	2.049	3	117.6752	1.932	15	118.4068	2.523	23	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(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]C)(CN){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(N)	117.9515	0.921	2	117.9462	0.273	6	117.6752	1.932	15	118.4068	2.523	23	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(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]C)(CN){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]2)(N)	117.9435	0.414	4	117.9462	0.273	6	117.6752	1.932	15	118.4068	2.523	23	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	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[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(N)	119.4040	0.871	3	119.4040	0.759	3	117.6752	1.932	15	118.4068	2.523	23	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	3:4:3:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3: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[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(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[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(CC[6a])	120.1280	0.000	1	120.1280	0.000	1	120.1280	0.000	1	120.1280	0.000	1	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:1:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1: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]HH)(C[6]C[6]C)(H)2	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]HH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C(C[6]C[6]2)(N)	119.3960	0.000	1	119.3960	0.000	1	118.1050	3.333	2	118.1050	3.333	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:1:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N-1:	C[6](C[6]C[6]HH)(C[6]S[6]N)(CN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	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]HH)(C[6]C[6]C)(H)2{1|N<3>,1|S<2>,2|H<1>}	C(C[6]C[6]2)(N)	116.8140	0.000	1	116.8140	0.000	1	118.1050	3.333	2	118.1050	3.333	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:1:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1: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)2	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)2{1|C<4>,3|H<1>}	C(C[6]C[6]2)(CP[5])	118.3920	0.000	1	118.3920	0.000	1	117.5475	1.426	2	117.5475	1.426	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:1:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1: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)2	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)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CH)	116.7030	0.000	1	116.7030	0.000	1	117.5475	1.426	2	117.5475	1.426	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:2:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:O-2: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)(OH)(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)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(CC)	115.5390	0.000	1	115.5390	0.000	1	116.2295	0.954	2	116.2295	0.954	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:2:1:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:O-2: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)(OH)(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)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(CC[6a])	116.9200	0.000	1	116.9200	0.000	1	116.2295	0.954	2	116.2295	0.954	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	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[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	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[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2)(N)	117.4670	0.000	1	117.4670	0.000	1	118.3130	8.277	6	118.2629	6.915	7	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(N)	115.1530	0.486	2	115.1530	0.237	2	118.3130	8.277	6	118.2629	6.915	7	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C(C[6]C[6]2)(N)	119.6610	0.000	1	119.6610	0.000	1	118.3130	8.277	6	118.2629	6.915	7	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	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](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C(C[6]C[6]2)(N)	121.2220	1.311	2	121.2220	1.719	2	118.3130	8.277	6	118.2629	6.915	7	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:3:1:	3:1:	C[6]-4:C[6]-3:C-2:	C[5]-4:C[6]-3:C[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[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(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[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C(C[6]C[6]2)(N)	117.9620	0.000	1	117.9620	0.000	1	117.9620	0.000	1	118.2629	6.915	7	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:3:2:	3:1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C[6]-3:C-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]2H)(C[6]C[6]C)(C[6]C[6]O)(CN)	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]2H)(C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(N)	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:3:2:	4:3:4:4:	3:2:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-4: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]HH)(C[6]C[6]C)(CH3)2	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]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(CC)	116.1000	0.066	2	116.1000	0.004	2	116.1000	0.004	2	116.1000	0.004	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	2:3:1:1:	3:3:	C[6]-4:C[6]-4:C-2:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C-3:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C(C[6]C[6]2)(CHH)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CHH)	122.2860	0.000	1	122.2860	0.000	1	122.2860	0.000	1	122.2860	0.000	1	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	3:2:1:1:	3:3:	C[4,6]-4:C[6]-4:C-2:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C-3:	C[6](C[4,6]C[4,6]C[4]O)(C[6]O[6]HH)(CC)	C[6](C[6]C[4,6]C)(O[6]C[6])(H)2	C(C[6]C[4,6]C[6])(CC[6a]2)	C[6](C[4,6]C[4,6]C[4]O)(C[6]O[6]HH)(CC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6])(CC[6a]2)	119.3800	0.000	1	119.3800	0.000	1	119.3800	0.000	1	119.3800	0.000	1	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	3:3:3:1:	3:3:	C[6]-4:C[6]-4:C-2:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C-3:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H)	C(C[6]C[6]2)(CHH)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(CHH)	123.0820	0.000	1	123.0820	0.000	1	123.0820	0.000	1	123.0820	0.000	1	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	3:4:1:1:	3:3:	C[6,6]-4:C[6]-4:C-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CC)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6])(CCH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CC){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(CCH)	122.0235	1.040	2	122.0235	1.082	2	122.0235	1.082	2	122.0235	1.082	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:1:1:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-3:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(CC)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2	C(C[6]C[6]2)(CC[6,6]H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(CC){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(CC[6,6]H)	125.3660	0.000	1	125.3660	0.000	1	123.1019	1.120	9	123.0682	1.007	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:1:1:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C(C[6]C[6]2)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2)(CC[6a]C)	122.8300	1.006	3	122.8300	1.012	3	123.1019	1.120	9	123.0682	1.007	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:1:1:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C(C[6]C[6]2)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CHH)	123.7340	0.000	1	123.7340	0.000	1	123.1019	1.120	9	123.0682	1.007	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:1:1:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-3:	C[6](C[6]C[6]HH)2(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C(C[6]C[6]2)(CC[6]Zr)	C[6](C[6]C[6]HH)2(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6]Zr)	122.5860	0.092	2	122.5860	0.008	2	123.1019	1.120	9	123.0682	1.007	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:1:1:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-3:	C[6](C[6]C[6]HH)2(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C(C[6]C[6]2)(CC[6a]C)	C[6](C[6]C[6]HH)2(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6a]C)	122.5775	0.320	2	122.5775	0.103	2	123.1019	1.120	9	123.0682	1.007	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:1:1:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6])	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6])(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6,6a]C[6])(C[6]C[6]2)	122.7650	0.000	1	122.7650	0.000	1	122.7650	0.000	1	123.0682	1.007	10	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:2:1:	3:3:	C[6]-4:C[6]-4:C-2:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C-3:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(CC)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(OH)(H)	C(C[6]C[6]2)(CC[6,6]H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(CC){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2)(CC[6,6]H)	119.9400	0.000	1	119.9400	0.000	1	119.9400	0.000	1	121.3555	4.007	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:2:1:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C(C[6]C[6]2)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2)(CHH)	122.7710	0.000	1	122.7710	0.000	1	122.7710	0.000	1	121.3555	4.007	2	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:3:1:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H)	C(C[6]C[6]2)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6a]C)	125.0240	1.069	3	125.0240	1.143	3	125.0240	1.143	3	124.4340	2.154	4	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:3:1:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6])	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H)	C(C[6]C[6,6a]C[6])(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H){1|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6])(C[6]C[6]2)	122.6640	0.000	1	122.6640	0.000	1	122.6640	0.000	1	124.4340	2.154	4	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:4:2:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C(C[6]C[6]2)(CBrH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CBrH)	120.2950	0.000	1	120.2950	0.000	1	120.0440	0.332	7	120.0440	0.332	7	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:4:2:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C(C[6]C[6]2)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CCH)	120.0980	0.763	4	120.0980	0.583	4	120.0440	0.332	7	120.0440	0.332	7	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:4:2:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C(C[6]C[6]2)(CHI)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CHI)	119.8105	0.243	2	119.8105	0.059	2	120.0440	0.332	7	120.0440	0.332	7	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:4:4:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2)(CBrH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(CBrH)	120.4310	0.000	1	120.4310	0.000	1	121.1210	0.175	7	121.1210	0.175	7	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:4:4:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(CCH)	121.1225	0.293	4	121.1225	0.086	4	121.1210	0.175	7	121.1210	0.175	7	118.2477	4.769	262	118.3643	5.046	273
762	466	983	0:SP2_SP1_SP3	C[6]	C[6]	C	4:4:2:	4:3:4:4:	3:3:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2)(CHI)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(CHI)	121.4630	0.287	2	121.4630	0.082	2	121.1210	0.175	7	121.1210	0.175	7	118.2477	4.769	262	118.3643	5.046	273
762	466	992	0:SP2_SP3_SP3	C[6,6]	C[3x6]	P	4:3:4:	3:3:3:1:	3:3:3:1:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	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[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	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[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){2|C<4>,2|H<1>,4|C<3>}	P(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(O)	119.9620	0.000	1	119.9620	0.000	1	117.3173	11.195	7	117.3173	11.195	7	117.3173	11.195	7	117.7865	7.027	13
762	466	992	0:SP2_SP3_SP3	C[6,6]	C[3x6]	P	4:3:4:	3:3:3:1:	3:3:3:1:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	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[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	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[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	P(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(O)	116.8765	3.435	6	116.8765	11.802	6	117.3173	11.195	7	117.3173	11.195	7	117.3173	11.195	7	117.7865	7.027	13
762	466	992	0:SP2_SP3_SP3	C[6]	C[6]	P	3:4:4:	2:3:1:1:	3:3:3:1:	C[6]-3:C[6]-4:P-4:	O[6]-2:C[6]-3:H-1:H-1:	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](O[6]C[6,6a])(C[6]C[6]P)(H)2	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](O[6]C[6,6a])(C[6]C[6]P)(H)2{3|C<3>}	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	119.1380	1.527	2	119.1380	2.333	2	119.1380	2.333	2	119.1380	2.333	2	118.3340	2.763	6	117.7865	7.027	13
762	466	992	0:SP2_SP3_SP3	C[6]	C[6]	P	3:4:4:	3:4:1:1:	3:3:3:1:	C[5,6]-3:C[6]-4:P-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6a]-3:O-1:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(PC[6a]2O)	C[6](C[6]C[5,6]P)(C[6]C[6]CC)(H)2	P(C[6]C[5,6]C[6])(C[6a]C[6a]2)2(O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(PC[6a]2O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]P)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	P(C[6]C[5,6]C[6])(C[6a]C[6a]2)2(O)	116.5180	0.000	1	116.5180	0.000	1	116.5180	0.000	1	116.5180	0.000	1	118.3340	2.763	6	117.7865	7.027	13
762	466	992	0:SP2_SP3_SP3	C[6]	C[6]	P	3:4:4:	4:3:1:1:	3:3:3:1:	C[6]-3:C[6]-4:P-4:	C[6]-4:C[6]-3:H-1:H-1:	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]C[6,6a]HH)(C[6]C[6]P)(H)2	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]C[6,6a]HH)(C[6]C[6]P)(H)2{3|C<3>}	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	116.6920	0.000	1	116.6920	0.000	1	116.6920	0.000	1	116.6920	0.000	1	118.3340	2.763	6	117.7865	7.027	13
762	466	992	0:SP2_SP3_SP3	C[6]	C[6]	P	4:3:4:	4:3:1:1:	3:4:2:1:	C[6]-4:C[6]-3:P-4:	C[6]-4:C[6]-3:H-1: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)2	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)2{1|C<3>,1|C<4>,1|H<1>}	P(C[6]C[6]2)(CCHN)(OC)(O)	118.1450	0.000	1	118.1450	0.000	1	118.1450	0.000	1	118.1450	0.000	1	118.3340	2.763	6	117.7865	7.027	13
762	466	992	0:SP2_SP3_SP3	C[6]	C[6]	P	4:3:4:	4:3:1:1:	3:4:4:4:	C[6]-4:C[6]-3:P-4:	C[6,6]-4:C[6]-3:H-1: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](C[6,6]C[6]3)(C[6]C[6]P)(H)2	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](C[6,6]C[6]3)(C[6]C[6]P)(H)2{1|B<4>,2|C<3>,7|H<1>}	P(C[6]C[6]2)(CC3)3	120.3730	0.000	1	120.3730	0.000	1	120.3730	0.000	1	120.3730	0.000	1	118.3340	2.763	6	117.7865	7.027	13
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,5,6,6]	C[5,6]	4:4:1:	4:4:4:3:	3:4:2:1:	C[5,5,6,6]-4:C[5,6]-4:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[5,6]-4:O[5]-2:H-1:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,6]2)(C[5,6]C[5,6]O[5]H)(O)	C[5,5,6,6](C[5,5,6,6]C[5,6]O[5,6]2)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[6]C[5,6]O)	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,6]2)(C[5,6]C[5,6]O[5]H)(O){2|O<2>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,6]O[5,6]2)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[6]C[5,6]O){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	115.5510	0.000	1	115.5510	0.000	1	115.5510	0.000	1	115.5510	0.000	1	115.5510	0.000	1	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,5,6]	C[5,6]	4:4:1:	4:3:3:2:	4:3:4:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:N[5]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:N[5]-4:H-1:	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,6]C[5,6]N[5]H)(O)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,6]C[5,6]N[5]H)(O){2|H<1>,3|C<3>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5]){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.4570	0.000	2	112.4570	0.000	2	112.4570	0.000	2	112.4570	0.000	2	112.4570	0.000	2	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6,6]	C[5,6,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(O){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	118.8785	0.146	2	118.8785	0.021	2	118.8785	0.021	2	118.8785	0.021	2	118.5190	0.398	3	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6,6]	C[5,6,6]	4:4:1:	4:4:3:4:	4:4:3:4:	C[5,6,6]-4:C[5,6,6]-4:O-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])2(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])2(O){2|C<3>,7|C<4>,8|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	117.8000	0.000	1	117.8000	0.000	1	117.8000	0.000	1	117.8000	0.000	1	118.5190	0.398	3	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6,6]	C[5,6]	4:4:1:	4:4:3:1:	3:2:4:1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]C[5]H)(O)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H)	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]C[5]H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|C<4>,2|H<1>}	115.5890	0.000	1	115.5890	0.000	1	115.5890	0.000	1	115.5890	0.000	1	113.1328	10.330	4	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6,6]	C[5,6]	4:4:1:	4:4:3:1:	4:3:2:1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	108.6110	0.000	1	108.6110	0.000	1	108.6110	0.000	1	108.6110	0.000	1	113.1328	10.330	4	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6,6]	C[5,6]	4:4:1:	4:4:3:1:	4:3:2:4:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH){1|O<2>,2|H<1>,4|C<4>}	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	113.1328	10.330	4	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6,6]	C[5,6]	4:4:1:	4:4:3:3:	4:3:2:1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[6,6]-4:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,6,6]O[5]H)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,6,6]O[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	113.0750	0.000	1	113.0750	0.000	1	113.0750	0.000	1	113.0750	0.000	1	113.1328	10.330	4	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	3:4:2:2:	4:3:2:1:	C[5,6]-4:C[5,6]-4:O-1:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	113.8320	0.000	1	113.8320	0.000	1	115.2983	1.827	3	115.2983	1.827	3	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	3:4:2:2:	4:3:2:1:	C[5,6]-4:C[5,6]-4:O-1:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	116.0315	0.654	2	116.0315	0.428	2	115.2983	1.827	3	115.2983	1.827	3	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	3:4:3:3:	4:4:3:3:	C[5,6]-4:C[5,6]-4:O-1:	C[6,6a]-3:C[5]-4:N[5]-3:C[6]-3:	C[5]-4:C[6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]C[5]C[6]N[5])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[5,6]O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(N[5]C[6a]N[5])(C[6]C[5,6]O)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]C[5]C[6]N[5])(O){2|N<2>,4|H<1>,8|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[5,6]O){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(N[5]C[6a]N[5])(C[6]C[5,6]O){1|C<4>,1|N<3>,7|C<3>}	117.8920	0.000	1	117.8920	0.000	1	117.8920	0.000	1	117.8920	0.000	1	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:3:2:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)2(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(O){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:3:2:1:	4:3:3:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,6|H<1>}	116.4310	0.000	1	116.5460	0.026	2	116.5460	0.026	2	116.5460	0.026	2	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:3:2:1:	4:3:3:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	116.6610	0.000	1	116.5460	0.026	2	116.5460	0.026	2	116.5460	0.026	2	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:3:3:1:	2:4:3:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]O)(C[5]O[5]O)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]O)(C[5]O[5]O)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H){1|C<3>,2|H<1>,3|C<4>}	116.7705	0.579	2	116.7705	0.335	2	116.7705	0.335	2	116.7705	0.335	2	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:3:3:4:	4:3:4:1:	C[5,6]-4:C[5,6]-4:O-1:	C[6,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[6](C[5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5,6,6]C[5]H)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5,6,6]C[5]H)(O){1|C<3>,1|N<3>,4|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:1:	2:3:4:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	O[5,6]-2:C[6]-3:C[5]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(O){4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH){1|O<2>,2|H<1>,3|C<4>}	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:2:	4:3:4:2:	C[5,6]-4:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5]C[6]O[5])2(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])2(O){1|C<4>,2|N<2>,4|C<3>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	116.8510	0.000	1	116.8510	0.000	1	116.8510	0.000	1	116.8510	0.000	1	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:4:	4:3:4:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,5|H<1>,8|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	113.7980	1.056	2	113.7980	1.116	2	113.7980	1.116	2	113.7980	1.116	2	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5]2C[6])2(O)	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH)	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH)	C[6](C[5,6]C[5]2C[6])2(O){1|N<3>,2|C<3>,2|C<4>,2|O<2>,2|S<2>,8|H<1>}	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH){2|C<3>,2|H<1>,4|C<4>}	118.6520	0.628	2	118.6520	0.394	2	118.6520	0.394	2	118.6520	0.394	2	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:4:3:1:	2:3:2:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H){2|C<4>,4|H<1>}	114.1060	0.000	1	114.1060	0.000	1	114.1060	0.000	1	114.1060	0.000	1	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:4:3:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]2H)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]2H)(O){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	114.3830	0.024	2	114.3830	0.001	2	114.3830	0.001	2	114.3830	0.001	2	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:4:3:2:	2:3:4:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-4:C[6]-3:O[5]-2:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5])	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(O){3|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5]){4|H<1>,4|O<2>,5|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<4>}	116.9870	0.000	1	116.9870	0.000	1	116.9870	0.000	1	116.9870	0.000	1	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:4:2:	C[5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5])	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,2|N<3>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5]){3|C<3>,4|C<4>}	121.1520	0.000	1	120.0047	5.482	3	120.0047	5.482	3	120.0047	5.482	3	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:4:2:	C[5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5])	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,2|N<3>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5]){3|C<3>,4|C<4>}	119.4310	2.998	2	120.0047	5.482	3	120.0047	5.482	3	120.0047	5.482	3	116.3987	6.396	24	115.9448	7.874	34
762	474	474	6:SP2_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:	4:3:2:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)2(CHO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(CHO){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	111.4660	0.000	1	111.4660	0.000	1	111.4660	0.000	1	111.4660	0.000	1	116.3987	6.396	24	115.9448	7.874	34
762	474	478	6:SP2_SP3_SP3	C[6,6]	C[5,6,6]	C[4,6,6]	4:4:1:	4:3:2:2:	4:4:3:1:	C[5,6,6]-4:C[4,6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:O[5]-2:O[5]-2:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(O)	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]O)(H)	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(O){4|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2{1|O<2>,3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]O)(H){1|C<4>,1|H<1>,2|O<2>}	115.1890	0.000	1	115.1890	0.000	1	115.1890	0.000	1	115.1890	0.000	1	115.9745	1.234	2	115.5387	5.190	7
762	474	478	6:SP2_SP3_SP3	C[6,6]	C[5,6,6]	C[4,6,6]	4:4:1:	4:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[4,6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(O)	C[5,6,6](C[5,6,6]C[4,6,6]C[5]C)(C[6,6]C[4,6,6]O)(C[5]C[5]CH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(O){3|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5]C)(C[6,6]C[4,6,6]O)(C[5]C[5]CH)(H){2|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]O)(H){2|C<4>,2|H<1>}	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	115.9745	1.234	2	115.5387	5.190	7
762	474	478	6:SP2_SP3_SP3	C[6]	C[5,6]	C[4,6]	4:4:1:	3:3:2:2:	4:4:3:1:	C[4,6]-4:C[5,6]-4:O-1:	C[6]-3:C[6]-3:S[5]-2:S[5]-2:	C[4,5]-4:C[4,6]-4:C[6]-3:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[6]S[5]2)(O)	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2	C[4,6](C[4,5]C[5,6a]C[4]C[5])(C[4,6]C[4]C[6]H)(C[6]C[5,6]O)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[6]S[5]2)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2{2|C<4>,6|H<1>}	C[4,6](C[4,5]C[5,6a]C[4]C[5])(C[4,6]C[4]C[6]H)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|S<2>,3|C<3>}	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	116.4280	1.976	2	115.3644	7.344	5	115.5387	5.190	7
762	474	478	6:SP2_SP3_SP3	C[6]	C[5,6]	C[4,6]	4:4:1:	3:3:2:2:	4:4:3:1:	C[5,6]-4:C[4,6]-4:O-1:	C[6]-3:C[6]-3:S[5]-2:S[5]-2:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[6]S[5]2)(C[4,6]C[4,6]2H)(O)	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2	C[4,6](C[4,6]C[6,6a]C[4]O[6])(C[4,6]C[4]C[6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[6]S[5]2)(C[4,6]C[4,6]2H)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2{2|C<4>,6|H<1>}	C[4,6](C[4,6]C[6,6a]C[4]O[6])(C[4,6]C[4]C[6]H)(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,2|S<2>,4|C<3>}	115.4340	0.000	1	115.4340	0.000	1	115.4340	0.000	1	116.4280	1.976	2	115.3644	7.344	5	115.5387	5.190	7
762	474	478	6:SP2_SP3_SP3	C[6]	C[5,6]	C[4,6]	4:4:1:	4:3:4:1:	4:4:3:1:	C[4,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[4,4,6]-4:C[4]-4:C[6]-3:H-1:	C[6](C[4,6]C[4,4,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H)	C[4,6](C[4,4,6]C[4,4]C[5,6]C[4])(C[4]C[4,4]HH)(C[6]C[5,6]O)(H)	C[6](C[4,6]C[4,4,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O){1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[4,6](C[4,4,6]C[4,4]C[5,6]C[4])(C[4]C[4,4]HH)(C[6]C[5,6]O)(H){1|C<3>,4|C<4>,4|H<1>}	118.6160	0.000	1	118.6160	0.000	1	118.6160	0.000	1	114.6553	11.814	3	115.3644	7.344	5	115.5387	5.190	7
762	474	478	6:SP2_SP3_SP3	C[6]	C[5,6]	C[4,6]	4:4:1:	4:3:4:1:	4:4:3:1:	C[4,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[4,5,6]-4:C[4]-4:C[6]-3:H-1:	C[6](C[4,6]C[4,5,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H)	C[4,6](C[4,5,6]C[4,5]C[5,6]C[5])(C[4]C[4,5]HH)(C[6]C[5,6]O)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O){1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[4,6](C[4,5,6]C[4,5]C[5,6]C[5])(C[4]C[4,5]HH)(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	112.6750	0.311	2	112.6750	0.097	2	112.6750	0.097	2	114.6553	11.814	3	115.3644	7.344	5	115.5387	5.190	7
762	474	486	6:SP2_SP3_SP3	C[6,6]	C[5,4x6]	C[3,6,6]	4:4:1:	4:4:3:3:	3:4:4:2:	C[5,4x6]-4:C[3,6,6]-4:O-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[3x6]-4:C[3]-4:O[3]-2:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(O)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)	C[3,6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3])	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(O){1|C<3>,4|C<4>,6|H<1>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[3,6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	107.9705	0.227	2	107.9705	0.052	2	107.9705	0.052	2	107.9705	0.052	2	107.9705	0.052	2	116.2916	25.200	9
762	474	486	6:SP2_SP3_SP3	C[6,6]	C[5,6]	C[3,6,6]	4:4:3:	3:4:4:4:	4:3:4:4:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CH3)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){6|C<4>,8|H<1>}	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CH3){2|O<2>,4|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	115.8310	0.000	1	115.8310	0.000	1	116.3820	0.607	2	116.3820	0.607	2	116.3820	0.607	2	116.2916	25.200	9
762	474	486	6:SP2_SP3_SP3	C[6,6]	C[5,6]	C[3,6,6]	4:4:3:	3:4:4:4:	4:3:4:4:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO){6|C<4>,6|H<1>}	116.9330	0.000	1	116.9330	0.000	1	116.3820	0.607	2	116.3820	0.607	2	116.3820	0.607	2	116.2916	25.200	9
762	474	486	6:SP2_SP3_SP3	C[6]	C[5,6,6]	C[3,6]	4:4:1:	4:3:4:4:	4:3:2:1:	C[5,6,6]-4:C[3,6]-4:O-1:	C[5,6,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3,6]C[3,6]O[3]H)(O)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6,6]O)(O[3]C[3,6])(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3,6]C[3,6]O[3]H)(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6,6]O)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	118.6357	0.819	3	118.6357	0.671	3	118.6357	0.671	3	118.6357	0.671	3	118.6357	0.671	3	116.2916	25.200	9
762	474	486	6:SP2_SP3_SP3	C[6]	C[5,6]	C[3,6]	4:4:1:	4:3:4:4:	4:3:2:1:	C[5,6]-4:C[3,6]-4:O-1:	C[5,5,6]-4:C[6]-3:C[5]-4:C-4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[3,6]C[3,6]O[3]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[3,6]O)(C[5]C[5]HH)(CH3)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[3,6]C[3,6]O[3]H)(O){3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[3,6]O)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H){1|H<1>,4|C<4>}	121.0060	0.406	2	121.0060	0.165	2	121.0060	0.165	2	121.0060	0.165	2	121.0060	0.165	2	116.2916	25.200	9
762	474	490	0:SP2_SP3_SP3	C[6,6]	C[5,3x6]	C	4:3:4:	3:3:3:2:	3:4:4:4:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:O[5]-2:	C[6,6]-3:C-4:C-4:C-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5])	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){3|C<3>,3|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5]){1|C<4>,7|H<1>}	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	122.8520	0.000	1	122.8520	0.000	1	122.8520	0.000	1	122.8520	0.000	1	122.7640	0.620	3	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6,6]	C[5,3x6]	C	4:3:4:	4:3:3:2:	3:4:4:4:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:C[6,6]-3:O[5]-2:	C[6,6]-3:C-4:C-4:C-4:	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6])	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	123.5040	0.000	1	123.5040	0.000	1	123.5040	0.000	1	123.5040	0.000	1	122.7640	0.620	3	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6,6]	C[5,3x6]	C	4:3:4:	4:4:3:2:	3:1:1:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-3:O-2:	C[6,6]-3:H-1:H-1:H-1:	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]O)(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]C)(OH)	C(C[6,6]C[5,3x6]C[6,6])(H)3	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]O)(C[6,6]C[5,3x6]O)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]C)(OH){1|O<1>,2|C<3>,3|C<4>,4|O<2>}	C(C[6,6]C[5,3x6]C[6,6])(H)3	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	122.7640	0.620	3	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,5,6]	C	4:3:4:	4:4:2:3:	3:1:1:1:	C[5,5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5,5]-4:O[5]-2:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,5,6]C[5,6,6]C[5,5]O[5])(C[6]C[5,6]H)(CH3)	C[5,5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[6]C[6]C)	C(C[6]C[5,5,6]C[6])(H)3	C[6](C[5,5,6]C[5,6,6]C[5,5]O[5])(C[6]C[5,6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6]C[5,5,6]C[6])(H)3	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6,6]	C	4:3:4:	3:3:4:3:	3:1:1:1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6,6]-3:C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[5,6,6]C[6])(H)3	117.1825	0.054	2	117.1825	0.003	2	117.1825	0.003	2	117.1825	0.003	2	119.0050	4.787	7	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6,6]	C	4:3:4:	4:3:2:3:	3:1:1:1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:O[6]-2:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3)	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C)	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3){2|H<1>,2|O<2>,4|C<3>}	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[5,6,6]C[6])(H)3	117.1580	0.000	1	117.1580	0.000	1	117.1580	0.000	1	117.1580	0.000	1	119.0050	4.787	7	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6,6]	C	4:3:4:	4:4:3:2:	3:1:1:1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(CH3)	C[5,6,6](C[5,6,6]C[5,6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[5,6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[5,6,6]C[6])(H)3	119.4890	0.000	1	119.4890	0.000	1	119.4890	0.000	1	119.4890	0.000	1	119.0050	4.787	7	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,6,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C[5]-4:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[5])(CH3)	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[5,6]C)(C[5]C[5]HH)	C(C[6]C[5,6,6]C[5,6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[5])(CH3){2|O<2>,5|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[5,6]C)(C[5]C[5]HH){4|C<4>,7|H<1>}	C(C[6]C[5,6,6]C[5,6])(H)3	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	119.0050	4.787	7	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6,6]	C	4:3:4:	4:4:4:3:	3:1:1:1:	C[5,6,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[5])(CH3)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C)	C(C[6]C[5,6,6]C[5,6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[5])(CH3){1|C<4>,6|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C){1|H<1>,3|C<4>,5|C<3>}	C(C[6]C[5,6,6]C[5,6])(H)3	121.9700	0.000	2	121.9700	0.000	2	121.9700	0.000	2	121.9700	0.000	2	119.0050	4.787	7	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	3:4:4:	3:4:2:2:	3:1:1:1:	C[6,6]-3:C[5,6]-4:C-4:	C[6]-3:C[6]-4:O[5]-2:O[5]-2:	C[6]-3:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)	C[5,6](C[6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])2	C(C[6]C[5,6]C[6,6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3){1|O<1>,2|H<1>,6|C<4>}	C[5,6](C[6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C(C[6]C[5,6]C[6,6])(H)3	113.1640	0.000	1	113.1640	0.000	1	113.1640	0.000	1	113.1640	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	3:4:4:	3:4:4:3:	3:1:1:1:	C[6,6]-3:C[5,6]-4:C-4:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3)	C[5,6](C[6]C[6,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]H)	C(C[6]C[5,6]C[6,6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[5,6](C[6]C[6,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6,6])(H)3	116.9670	0.000	1	116.9670	0.000	1	116.9670	0.000	1	116.9670	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	3:4:4:	4:4:3:1:	3:1:1:1:	C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]2H)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]2H)(CH3){2|C<3>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[5,6]2)(H)3	120.7465	0.436	4	120.7465	0.190	4	120.7465	0.190	4	120.7465	0.190	4	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:2:4:	3:2:2:3:	3:1:1:1:	C[5,6]-4:N[6]-2:C-4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3)	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	C(C[6]C[5,6]N[6])(H)3	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3){1|C<4>,4|C<3>}	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C){4|C<3>}	C(C[6]C[5,6]N[6])(H)3	119.4080	0.884	2	119.4080	0.781	2	119.4080	0.781	2	119.4080	0.781	2	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:2:4:	4:3:2:3:	3:1:1:1:	C[5,6]-4:N[6]-2:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C)	C(C[6]C[5,6]N[6])(H)3	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(CH3){3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C){4|C<3>}	C(C[6]C[5,6]N[6])(H)3	119.4680	0.000	1	119.4680	0.000	1	119.4680	0.000	1	119.4680	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:3:3:2:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3)	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5])	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]){2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6])(H)3	115.7790	0.000	1	115.7790	0.000	1	115.7790	0.000	1	115.7790	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.8640	0.000	1	117.8640	0.000	1	117.8640	0.000	1	117.1594	0.305	5	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2{1|I<1>,3|H<1>,5|C<3>}	C(C[6]C[5,6]C[6])(H)3	116.9832	0.447	4	116.9832	0.200	4	116.9832	0.200	4	117.1594	0.305	5	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:3:4:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CH3){1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]C){2|H<1>,3|C<4>,4|C<3>}	C(C[6]C[5,6]C[6])(H)3	117.8930	0.000	1	117.8930	0.000	1	117.8930	0.000	1	117.8930	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:3:4:4:	3:4:1:1:	C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-3:C[6]-3:C[5]-4:C[6]-4:	C[6]-3:C-4:H-1:H-1:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH)	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C(C[6]C[5,6]2)(CC[5]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH){3|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C(C[6]C[5,6]2)(CC[5]HH)(H)2	116.1510	0.000	1	116.1510	0.000	1	116.1510	0.000	1	116.1510	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:4:2:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(CH3)	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(CH3){2|C<4>,5|C<3>}	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C){1|H<1>,6|C<3>}	C(C[6]C[5,6]C[6])(H)3	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	116.9730	0.000	1	116.9730	0.000	1	117.4550	0.465	2	117.4550	0.465	2	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3){2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6])(H)3	117.9370	0.000	1	117.9370	0.000	1	117.4550	0.465	2	117.4550	0.465	2	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:4:3:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,4|H<1>,5|C<3>}	C(C[6]C[5,6]C[6])(H)3	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	114.5250	0.000	1	114.5250	0.000	1	116.3797	2.731	3	116.3797	2.731	3	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	117.3070	0.550	2	117.3070	0.303	2	116.3797	2.731	3	116.3797	2.731	3	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:4:3:4:	3:4:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	118.1280	0.000	1	118.1280	0.000	1	118.1280	0.000	1	118.1280	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	3:4:4:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6]C[6]CC)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6]C[6]CC)(C[6]C[6]C){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:2:3:1:	4:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH)	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	116.9460	0.000	1	116.9460	0.000	1	116.9460	0.000	1	116.9460	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:2:2:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O[5]-2:C-2:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC){2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	117.8590	0.000	1	117.8590	0.000	1	117.8590	0.000	1	115.8415	5.309	4	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:2:2:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O[5]-2:N-2:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.7700	0.000	1	117.7700	0.000	1	117.7700	0.000	1	115.8415	5.309	4	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:2:2:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3){3|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,6|H<1>}	C(C[6]C[5,6]C[6])(H)3	113.8685	0.593	2	113.8685	0.352	2	113.8685	0.352	2	115.8415	5.309	4	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:2:3:	3:2:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[6]-3:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH)	C(C[6]C[5,6]C[6])(OSi)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(OSi)(H)2	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:2:4:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.0760	0.000	1	117.0760	0.000	1	117.0760	0.000	1	117.0760	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[6]-3:C[5]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[5,6]C)(C[5]C[5]O)(H)	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3){1|C<3>,1|O<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[5,6]C)(C[5]C[5]O)(H){1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[5,6]2)(H)3	119.0410	0.000	1	119.0410	0.000	1	119.0410	0.000	1	117.7238	0.734	5	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H){1|B<3>,1|H<1>,4|C<3>}	C(C[6]C[5,6]C[6])(H)3	116.8890	0.000	1	117.2170	0.194	3	117.3945	0.256	4	117.7238	0.734	5	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H){1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6])(H)3	117.3810	0.477	2	117.2170	0.194	3	117.3945	0.256	4	117.7238	0.734	5	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6,6]N[5,5a,6]C[6,6]C)(B[5]N[5,5a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	C[5,6](C[5,6,6]N[5,5a,6]C[6,6]C)(B[5]N[5,5a]C[6a])(C[6]C[6]C)(H){1|B<3>,1|H<1>,5|C<3>}	C(C[6]C[5,6]C[6])(H)3	117.9270	0.000	1	117.9270	0.000	1	117.3945	0.256	4	117.7238	0.734	5	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:2:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6]-3:O-2:H-1:H-1:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OD)(H)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO){1|C<3>,1|D<1>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(OD)(H)2	114.8340	0.000	1	114.8340	0.000	1	114.8340	0.000	1	115.5085	0.910	2	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:2:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[5,6]C[6])(OSi)(H)2	116.1830	0.000	1	116.1830	0.000	1	116.1830	0.000	1	115.5085	0.910	2	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6])(H)2	114.9660	0.000	1	114.9660	0.000	1	114.9660	0.000	1	114.9660	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CCCH)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(CCCH)(H)2	116.4500	0.000	1	116.4500	0.000	1	116.4500	0.000	1	116.4500	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:3:2:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	116.9640	0.000	1	116.9640	0.000	1	116.9640	0.000	1	116.9640	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5]-4:C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C(C[6]C[5,6]C[6])(H)3	118.8890	0.000	1	118.8890	0.000	1	118.8890	0.000	1	118.5528	0.199	4	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5,6]C[6])(H)3	118.6705	0.359	2	118.4407	0.223	3	118.4407	0.223	3	118.5528	0.199	4	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(H)3	117.9810	0.000	1	118.4407	0.223	3	118.4407	0.223	3	118.5528	0.199	4	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:2:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.1100	0.000	1	117.1100	0.000	1	118.2035	2.391	2	118.2035	2.391	2	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:2:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	119.2970	0.000	1	119.2970	0.000	1	118.2035	2.391	2	118.2035	2.391	2	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.0180	0.516	2	117.0180	0.266	2	117.1163	0.162	3	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]CO)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]CO)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.3130	0.000	1	117.3130	0.000	1	117.1163	0.162	3	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(CH3)	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(CH3){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(CH3)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(CH3){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	116.3720	0.000	1	116.3720	0.000	1	117.2186	7.020	5	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6])(H)3	121.8180	0.000	1	119.3920	11.771	2	117.2186	7.020	5	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6])(H)3	116.9660	0.000	1	119.3920	11.771	2	117.2186	7.020	5	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	115.3700	0.000	1	115.4685	0.019	2	117.2186	7.020	5	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6])(H)3	115.5670	0.000	1	115.4685	0.019	2	117.2186	7.020	5	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	114.4645	2.346	4	114.4645	5.503	4	116.7202	2.764	26	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	114.1810	0.000	1	114.1810	0.000	1	116.7202	2.764	26	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	117.0380	0.000	1	117.0380	0.000	1	116.7202	2.764	26	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	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[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<2>,1|C<4>,1|S<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.8730	0.000	1	117.8730	0.000	1	116.7202	2.764	26	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.1680	0.000	1	117.1680	0.000	1	116.7202	2.764	26	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.7700	0.000	1	117.7700	0.000	1	116.7202	2.764	26	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	115.5320	0.000	1	117.1838	0.884	9	116.7202	2.764	26	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.3902	0.756	8	117.1838	0.884	9	116.7202	2.764	26	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,5|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.2165	1.100	2	117.2165	1.209	2	116.7202	2.764	26	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.6940	1.766	2	117.2917	2.078	6	116.7202	2.764	26	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	117.0905	1.504	4	117.2917	2.078	6	116.7202	2.764	26	116.8240	2.907	35	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:2:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:O-2:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHHO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHHO){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(OH)(H)2	117.5140	0.000	1	117.5140	0.000	1	117.5140	0.000	1	117.5140	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,3|O<2>,4|C<4>}	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	118.8130	0.000	1	118.8130	0.000	1	118.8130	0.000	1	119.2288	3.131	5	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	118.5740	0.000	1	118.7075	0.036	2	119.3328	4.103	4	119.2288	3.131	5	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,4|H<1>}	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	118.8410	0.000	1	118.7075	0.036	2	119.3328	4.103	4	119.2288	3.131	5	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	119.9580	3.272	2	119.9580	10.709	2	119.3328	4.103	4	119.2288	3.131	5	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:2:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[3,5]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH){3|H<1>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(CH3)	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)(C[6]N[6]O)	C(C[6]C[5,6]C[6])(H)3	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[5,6](C[5]C[5]HH)2(C[6]C[6]C)(C[6]N[6]O){1|C<2>,2|C<3>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	118.0400	0.000	1	118.0400	0.000	1	118.1115	0.010	2	118.1115	0.010	2	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2{1|C<3>,1|C<4>,5|H<1>}	C(C[6]C[5,6]C[6])(H)3	118.1830	0.000	1	118.1830	0.000	1	118.1115	0.010	2	118.1115	0.010	2	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:3:3:	3:2:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:O-2:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CHHO)	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(OH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CHHO){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2{1|C<3>,1|C<4>,5|H<1>}	C(C[6]C[5,6]C[6])(OH)(H)2	116.7640	0.000	1	116.7640	0.000	1	116.7640	0.000	1	116.7640	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:3:4:	4:4:4:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,5,6]H)(CH3)	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[5,5,6]H)(CH3){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[5,6]C[6])(H)3	118.3310	0.000	1	118.3310	0.000	1	118.3310	0.000	1	118.3310	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	490	0:SP2_SP3_SP3	C[6]	C[5,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,3|O<1>}	C(C[6]C[5,6]C[6])(H)3	123.3250	0.000	1	123.3250	0.000	1	123.3250	0.000	1	123.3250	0.000	1	117.3205	3.630	97	117.5550	4.571	108
762	474	542	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[5,6,6]	4:3:1:	3:3:4:2:	4:4:3:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	111.7210	0.000	1	111.4152	0.549	5	111.4152	0.549	5	111.4152	0.549	5	110.2154	2.444	9	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[5,6,6]	4:3:1:	3:3:4:2:	4:4:3:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	111.7660	0.000	1	111.4152	0.549	5	111.4152	0.549	5	111.4152	0.549	5	110.2154	2.444	9	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[5,6,6]	4:3:1:	3:3:4:2:	4:4:3:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	112.2670	0.000	1	111.4152	0.549	5	111.4152	0.549	5	111.4152	0.549	5	110.2154	2.444	9	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[5,6,6]	4:3:1:	3:3:4:2:	4:4:3:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|N<3>,1|O<1>,1|S<2>,3|C<4>,5|H<1>}	110.6610	0.342	2	111.4152	0.549	5	111.4152	0.549	5	111.4152	0.549	5	110.2154	2.444	9	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[5,6,6]	4:3:1:	4:3:3:4:	4:3:4:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	108.9230	0.000	1	109.0690	0.043	2	108.7157	0.387	4	108.7157	0.387	4	110.2154	2.444	9	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[5,6,6]	4:3:1:	4:3:3:4:	4:3:4:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|H<1>,6|C<4>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	109.2150	0.000	1	109.0690	0.043	2	108.7157	0.387	4	108.7157	0.387	4	110.2154	2.444	9	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[5,6,6]	4:3:1:	4:3:3:4:	4:3:4:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<4>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	108.9190	0.000	1	108.9190	0.000	1	108.7157	0.387	4	108.7157	0.387	4	110.2154	2.444	9	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[5,6,6]	4:3:1:	4:3:3:4:	4:3:4:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	107.8060	0.000	1	107.8060	0.000	1	108.7157	0.387	4	108.7157	0.387	4	110.2154	2.444	9	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	N[5,6]	4:3:3:	4:4:3:4:	3:3:3:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	C[5,6]-4:Si[5,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[5,6]-3:C[5]-3:	C[6,6](C[5,6,6]Si[5,6]C[5,6]C)(N[5,6]C[5,6]C[5])(C[6]C[6]C)	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH)	N[5,6](C[6,6]C[5,6,6]C[6])(C[5,6]N[5]N[6])(C[5]C[5]H)	C[6,6](C[5,6,6]Si[5,6]C[5,6]C)(N[5,6]C[5,6]C[5])(C[6]C[6]C){1|Si<4>,1|N<3>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH){1|H<1>,3|C<3>,3|C<4>}	N[5,6](C[6,6]C[5,6,6]C[6])(C[5,6]N[5]N[6])(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<3>,3|C<4>}	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[5,6,6]	4:3:1:	4:3:3:2:	4:4:3:	C[5,6,6]-4:N[5,6,6]-3:O-1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6,6]C[5,6,6]2)(O)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6])	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	114.9610	0.000	1	114.9610	0.000	1	114.9610	0.000	1	114.9610	0.000	1	114.9610	0.000	1	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[5,6]	4:3:1:	3:4:3:2:	4:4:3:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6,6]C[5,6])(O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6,6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	115.5590	0.000	1	115.5590	0.000	1	115.5590	0.000	1	116.3367	1.236	6	116.4436	0.947	8	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[5,6]	4:3:1:	3:4:3:2:	4:4:3:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	115.2380	0.283	2	116.3375	1.658	4	116.3375	1.658	4	116.3367	1.236	6	116.4436	0.947	8	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[5,6]	4:3:1:	3:4:3:2:	4:4:3:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O){1|S<2>,2|C<3>,3|H<1>,5|C<4>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	117.4370	0.245	2	116.3375	1.658	4	116.3375	1.658	4	116.3367	1.236	6	116.4436	0.947	8	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[5,6]	4:3:1:	3:4:3:2:	4:4:3:	C[5,6,6]-4:N[5,6]-3:O-1:	N[6,6]-3:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	116.3367	1.236	6	116.4436	0.947	8	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[5,6]	4:3:1:	4:3:3:2:	4:3:4:	C[5,6,6]-4:N[5,6]-3:O-1:	C[5,6]-4:N[6,6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5])	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH)	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	117.0600	0.000	1	117.0600	0.000	1	117.0600	0.000	1	117.0600	0.000	1	116.4436	0.947	8	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[5,6]	4:3:1:	4:3:3:2:	4:4:3:	C[5,6,6]-4:N[5,6]-3:O-1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6]C[5,6]2)(O)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6])	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	116.4436	0.947	8	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6,6]	3:4:1:	3:3:4:2:	4:4:3:	N[5,6,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O)	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O){1|S<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|O<2>,3|H<1>}	116.0160	0.000	1	116.0160	0.000	1	116.0160	0.000	1	116.0160	0.000	1	115.9165	0.432	4	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6,6]	4:3:1:	3:3:4:2:	4:4:3:	C[5,6]-4:N[5,6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	114.9750	0.000	1	115.8833	0.641	3	115.8833	0.641	3	115.8833	0.641	3	115.9165	0.432	4	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6,6]	4:3:1:	3:3:4:2:	4:4:3:	C[5,6]-4:N[5,6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|S<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	116.3375	0.211	2	115.8833	0.641	3	115.8833	0.641	3	115.8833	0.641	3	115.9165	0.432	4	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	3:4:1:	3:4:3:2:	4:4:3:	N[5,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6](N[5,6]C[5,6,6]C[5,6])(C[5,6]N[5,6]C[5]S)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SS)	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)	C[6](N[5,6]C[5,6,6]C[5,6])(C[5,6]N[5,6]C[5]S)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SS){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	116.5080	0.000	1	116.5080	0.000	1	116.5080	0.000	1	116.5080	0.000	1	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:3:2:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	117.2950	0.000	1	117.2950	0.000	1	115.8565	4.139	2	115.8565	4.139	2	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:3:2:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]CH)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	114.4180	0.000	1	114.4180	0.000	1	115.8565	4.139	2	115.8565	4.139	2	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:3:2:	4:4:3:	C[5,6]-4:N[5,6]-3:O-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	116.6090	0.000	1	116.6090	0.000	1	116.6090	0.000	1	116.6090	0.000	1	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:4:1:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){2|C<3>,4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	114.9985	1.856	2	115.4723	1.452	4	115.7196	1.692	9	115.7196	1.692	9	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:4:1:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){3|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	115.9460	0.119	2	115.4723	1.452	4	115.7196	1.692	9	115.7196	1.692	9	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:4:1:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	115.4285	0.514	2	115.9174	2.185	5	115.7196	1.692	9	115.7196	1.692	9	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:4:1:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	115.6190	2.311	2	115.9174	2.185	5	115.7196	1.692	9	115.7196	1.692	9	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:4:1:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	117.4920	0.000	1	115.9174	2.185	5	115.7196	1.692	9	115.7196	1.692	9	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:4:1:	4:4:3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]S[5]H)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){2|S<2>,4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H){1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]S[5]H)(C[6]C[5,6]O){1|N<2>,1|N<3>,1|S<2>,2|C<4>,5|H<1>}	115.3605	0.026	2	115.3605	0.001	2	115.3605	0.001	2	114.7677	1.055	3	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:4:1:	4:4:3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){2|C<3>,4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	113.5820	0.000	1	113.5820	0.000	1	113.5820	0.000	1	114.7677	1.055	3	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:4:2:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]N[5,6]C[5]O)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH)	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]O)(C[5]C[5]CH)	C[6](C[5,6]N[5,6]C[5]O)(N[5,6]C[5,6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	117.1135	1.133	2	117.1135	1.285	2	117.1135	1.285	2	116.9753	0.788	6	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:4:2:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SC)	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]HH)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O){1|C<3>,1|S<2>,4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SC){1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	116.1610	0.320	2	116.1610	0.102	2	116.9062	0.866	4	116.9753	0.788	6	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:4:2:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SS)	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]CH)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O){1|S<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SS){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	117.6515	0.523	2	117.6515	0.273	2	116.9062	0.866	4	116.9753	0.788	6	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:4:3:1:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:4:3:1:	4:4:3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){1|C<3>,4|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	116.8955	0.234	2	116.8955	0.055	2	114.7308	4.254	10	114.4406	3.501	14	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:4:3:1:	4:4:3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){1|C<3>,4|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|O<1>,2|H<1>,4|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	111.5720	0.205	2	114.1896	3.788	8	114.7308	4.254	10	114.4406	3.501	14	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:4:3:1:	4:4:3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){3|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	114.4550	1.088	4	114.1896	3.788	8	114.7308	4.254	10	114.4406	3.501	14	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:4:3:1:	4:4:3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){3|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	116.2765	0.476	2	114.1896	3.788	8	114.7308	4.254	10	114.4406	3.501	14	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:4:3:1:	4:4:3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	113.7150	1.195	4	113.7150	1.428	4	113.7150	1.428	4	114.4406	3.501	14	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:4:3:2:	4:4:3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC){1|O<1>,2|H<1>,4|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O){1|N<3>,1|O<1>,1|S<2>,3|C<4>,5|H<1>}	115.9417	0.855	4	115.9417	0.731	4	115.9417	0.731	4	115.9417	0.731	4	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	4:4:3:1:	4:4:3:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H){2|C<3>,2|H<1>,4|C<4>}	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O){2|C<3>,3|C<4>,4|H<1>}	118.1650	0.000	1	118.1650	0.000	1	118.1650	0.000	1	118.1650	0.000	1	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP2_SP3	C[6]	C[5,6]	N[5,6]	4:3:2:	3:3:4:2:	4:3:4:	C[5,6]-4:N[5,6]-3:N-2:	N[5]-3:C[6]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5]N[5]O[6])(N[5,6]C[5,6]C[5])(NC[6a])	C[5,6](N[5]C[6a]C[5])(C[6]N[5,6]N)(C[5]C[5]HH)(O[6]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]N)(C[5]C[5]HH)	C[6](C[5,6]C[5]N[5]O[6])(N[5,6]C[5,6]C[5])(NC[6a]){2|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5]C[6a]C[5])(C[6]N[5,6]N)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]N)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	115.3380	0.000	1	115.3380	0.000	1	115.3380	0.000	1	115.3380	0.000	1	115.5042	2.695	43	114.9039	5.801	66
762	474	542	6:SP2_SP3_SP3	C[6]	C[5,5,6,6]	N[5,6]	4:3:1:	3:4:2:3:	4:4:3:	C[5,5,6,6]-4:N[5,6]-3:O-1:	N[5,6,6]-3:C[5,5]-4:S[5,6]-2:C[6]-3:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O)	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O)	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	117.5110	0.000	1	117.2205	0.169	2	117.2205	0.169	2	117.2205	0.169	2	117.2205	0.169	2	116.6364	0.876	10
762	474	542	6:SP2_SP3_SP3	C[6]	C[5,5,6,6]	N[5,6]	4:3:1:	3:4:2:3:	4:4:3:	C[5,5,6,6]-4:N[5,6]-3:O-1:	N[5,6,6]-3:C[5,5]-4:S[5,6]-2:C[6]-3:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O)	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O)	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O){1|S<2>,2|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	116.9300	0.000	1	117.2205	0.169	2	117.2205	0.169	2	117.2205	0.169	2	117.2205	0.169	2	116.6364	0.876	10
762	474	542	6:SP2_SP3_SP3	C[6]	C[5,6]	N[5,6,6]	3:4:1:	3:3:4:2:	4:4:3:	N[5,6,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O)	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|O<2>,3|H<1>}	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	115.9465	0.048	2	116.6364	0.876	10
762	474	542	6:SP2_SP3_SP3	C[6]	C[5,6]	N[5,6,6]	4:3:1:	3:3:4:2:	4:4:3:	C[5,6]-4:N[5,6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SS)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SS){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	115.7910	0.000	1	115.7910	0.000	1	115.7910	0.000	1	115.7910	0.000	1	115.9465	0.048	2	116.6364	0.876	10
762	474	542	6:SP2_SP3_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:3:2:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	114.5610	0.000	1	114.5610	0.000	1	116.4567	1.799	4	116.4567	1.799	4	116.6717	1.204	6	116.6364	0.876	10
762	474	542	6:SP2_SP3_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:3:2:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	117.4025	0.117	2	117.4025	0.014	2	116.4567	1.799	4	116.4567	1.799	4	116.6717	1.204	6	116.6364	0.876	10
762	474	542	6:SP2_SP3_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:3:3:2:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]HH)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	116.4610	0.000	1	116.4610	0.000	1	116.4567	1.799	4	116.4567	1.799	4	116.6717	1.204	6	116.6364	0.876	10
762	474	542	6:SP2_SP3_SP3	C[6]	C[5,6]	N[5,6]	4:3:1:	3:4:3:2:	4:4:3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	117.1015	0.268	2	117.1015	0.072	2	117.1015	0.072	2	117.1015	0.072	2	116.6717	1.204	6	116.6364	0.876	10
762	474	622	0:SP2_SP2_SP3	C[6,6]	C[5,6]	O[6]	4:3:2:	3:3:3:2:	4:3:	C[5,6]-4:C[3x6]-3:O[6]-2:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:O-2:	C[6,6]-4:C[6,6]-3:	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO)	O[6](C[6,6]C[3,3x6]C[5,6]O)(C[6,6]C[3x6]C[5,6])	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6]){1|N<4>,2|O<2>,3|C<4>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO){4|C<3>,4|C<4>}	O[6](C[6,6]C[3,3x6]C[5,6]O)(C[6,6]C[3x6]C[5,6]){3|C<4>,3|O<2>,4|C<3>}	111.2680	0.000	1	111.2680	0.000	1	111.2680	0.000	1	111.2680	0.000	1	112.6318	2.925	5	112.6318	2.925	5
762	474	622	0:SP2_SP2_SP3	C[6,6]	C[5,6]	O[6]	4:3:2:	3:4:2:1:	3:4:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6])(O[6]C[6,6])	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	O[6](C[6,6]C[5,6]C[6,6])(C[6,6]C[6]2O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6])(O[6]C[6,6]){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6]C[5,6]C[6,6])(C[6,6]C[6]2O[6]){1|O<1>,2|O<2>,3|H<1>,4|C<4>}	113.6275	0.196	2	113.6275	0.038	2	113.6275	0.038	2	113.6275	0.038	2	112.6318	2.925	5	112.6318	2.925	5
762	474	622	0:SP2_SP2_SP3	C[6,6]	C[5,6]	O[6]	4:3:2:	3:4:3:2:	4:3:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6,6]-3:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6])	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[5,6]C[6,6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[5,6]C[6,6]){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	112.6318	2.925	5	112.6318	2.925	5
762	474	622	0:SP2_SP2_SP3	C[6,6]	C[5,6]	O[6]	4:3:2:	4:4:3:4:	3:4:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6])(O[6]C[6])	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]O[6])(CH3)	O[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]CH)	C[6,6](C[5,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]O[6])(CH3){1|O<2>,3|C<3>,5|C<4>}	O[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]CH){1|C<3>,2|H<1>,4|C<4>}	114.2700	0.000	1	114.2700	0.000	1	114.2700	0.000	1	114.2700	0.000	1	112.6318	2.925	5	112.6318	2.925	5
762	474	622	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O[6,6]	4:2:1:	4:4:3:1:	4:3:	C[5,3x6]-4:O[6,6]-2:O-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(O[6,6]C[3x6])(O)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]O)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(O[6,6]C[3x6])(O){2|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]O){1|C<3>,3|C<4>,3|H<1>}	113.3785	0.377	2	113.3785	0.142	2	113.3785	0.142	2	113.3785	0.142	2	113.3785	0.142	2	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O[6]	4:3:2:	4:3:4:2:	3:4:	C[5,6,6]-4:C[6]-3:O[6]-2:	C[5,6]-4:C[6,6]-3:C[6]-4:O[5]-2:	C[6,6]-3:C[6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]H)(O[6]C[6])	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6]O[6])(C[6]C[6]HH)(O[5]C[5])	O[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CC)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6]O[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.5960	0.000	1	119.5960	0.000	1	119.5960	0.000	1	119.5960	0.000	1	119.5960	0.000	1	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,3x6]	O[6]	4:2:1:	4:4:2:3:	4:3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){4|H<1>,5|C<4>}	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<2>,5|C<4>,5|H<1>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|O<2>,4|C<4>}	116.9803	0.438	3	116.9803	0.192	3	116.8994	0.244	9	116.8994	0.244	9	116.8994	0.244	9	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,3x6]	O[6]	4:2:1:	4:4:2:3:	4:3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|C<3>,1|O<2>,3|C<4>}	116.8660	0.000	1	116.8590	0.307	6	116.8994	0.244	9	116.8994	0.244	9	116.8994	0.244	9	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,3x6]	O[6]	4:2:1:	4:4:2:3:	4:3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<1>,4|H<1>,5|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|O<2>,4|C<4>}	117.0060	0.000	1	116.8590	0.307	6	116.8994	0.244	9	116.8994	0.244	9	116.8994	0.244	9	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,3x6]	O[6]	4:2:1:	4:4:2:3:	4:3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|C<3>,1|O<2>,3|C<4>}	116.2585	0.460	2	116.8590	0.307	6	116.8994	0.244	9	116.8994	0.244	9	116.8994	0.244	9	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,3x6]	O[6]	4:2:1:	4:4:2:3:	4:3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|O<2>,4|C<4>}	117.2530	0.000	1	116.8590	0.307	6	116.8994	0.244	9	116.8994	0.244	9	116.8994	0.244	9	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,3x6]	O[6]	4:2:1:	4:4:2:3:	4:3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){4|H<1>,5|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,6|H<1>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|C<3>,1|O<2>,3|C<4>}	117.5120	0.000	1	116.8590	0.307	6	116.8994	0.244	9	116.8994	0.244	9	116.8994	0.244	9	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,5,6]	O[6]	4:2:1:	4:2:4:3:	4:3:	C[5,5,6]-4:O[6]-2:O-1:	C[5,5,6,6]-4:O[5]-2:C[5]-4:C[6]-3:	C[6,6]-4:C[6]-3:	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(O[6]C[6,6])(O)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[6,6]C[5])(O[5]C[5,6,6])(C[5]O[5]CH)(C[6]O[6]O)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,5,6]O)	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(O[6]C[6,6])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[6,6]C[5])(O[5]C[5,6,6])(C[5]O[5]CH)(C[6]O[6]O){1|O<1>,2|C<3>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,5,6]O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	117.6375	4.716	2	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,5,6]	O[6]	4:2:1:	4:4:3:3:	3:4:	C[5,5,6]-4:O[6]-2:O-1:	C[5,5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(O)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[5]C[5]C)(C[6]O[6]O)	O[6](C[6]C[5,5,6]O)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[5]C[5]C)(C[6]O[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O[6](C[6]C[5,5,6]O)(C[6]C[6]HH){2|C<3>,3|C<4>}	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	117.6375	4.716	2	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6,6]	O[6]	4:2:1:	4:4:3:1:	3:4:	C[5,6,6]-4:O[6]-2:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H)	O[6](C[6]C[5,6,6]O)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(O){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,3|O<2>}	O[6](C[6]C[5,6,6]O)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	118.2200	1.581	2	118.2200	2.500	2	118.2200	2.500	2	118.2200	2.500	2	119.0960	0.941	23	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6,6]	O[6]	4:2:1:	4:4:3:3:	3:4:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	119.4670	0.083	2	119.7615	0.525	6	119.7615	0.525	6	119.7615	0.525	6	119.0960	0.941	23	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6,6]	O[6]	4:2:1:	4:4:3:3:	3:4:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	119.7655	1.493	2	119.7615	0.525	6	119.7615	0.525	6	119.7615	0.525	6	119.0960	0.941	23	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6,6]	O[6]	4:2:1:	4:4:3:3:	3:4:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	120.2070	0.000	1	119.7615	0.525	6	119.7615	0.525	6	119.7615	0.525	6	119.0960	0.941	23	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6,6]	O[6]	4:2:1:	4:4:3:3:	3:4:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|O<1>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){4|H<1>,5|C<4>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	119.8970	0.000	1	119.7615	0.525	6	119.7615	0.525	6	119.7615	0.525	6	119.0960	0.941	23	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6,6]	O[6]	4:2:1:	4:4:3:3:	4:3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,2|H<1>,5|C<4>}	119.7560	0.000	1	118.1750	4.999	2	118.7602	0.939	9	118.7602	0.939	9	119.0960	0.941	23	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6,6]	O[6]	4:2:1:	4:4:3:3:	4:3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,2|H<1>,5|C<4>}	116.5940	0.000	1	118.1750	4.999	2	118.7602	0.939	9	118.7602	0.939	9	119.0960	0.941	23	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6,6]	O[6]	4:2:1:	4:4:3:3:	4:3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,2|H<1>,5|C<4>}	118.9558	0.506	5	118.9274	0.272	7	118.7602	0.939	9	118.7602	0.939	9	119.0960	0.941	23	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6,6]	O[6]	4:2:1:	4:4:3:3:	4:3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|O<2>,3|H<1>,5|C<4>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,2|H<1>,5|C<4>}	118.8565	0.771	2	118.9274	0.272	7	118.7602	0.939	9	118.7602	0.939	9	119.0960	0.941	23	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6,6]	O[6]	4:2:1:	4:4:4:3:	3:4:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){5|C<4>}	119.3293	0.349	3	119.5902	0.354	4	119.5902	0.354	4	119.5902	0.354	4	119.0960	0.941	23	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6,6]	O[6]	4:2:1:	4:4:4:3:	3:4:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	120.3730	0.000	1	119.5902	0.354	4	119.5902	0.354	4	119.5902	0.354	4	119.0960	0.941	23	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6,6]	O[6]	4:2:1:	4:4:4:3:	4:3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){2|H<1>,6|C<4>}	118.4980	0.335	2	118.4980	0.112	2	118.4980	0.112	2	118.4980	0.112	2	119.0960	0.941	23	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:3:3:3:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O){1|O<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O){8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,5|C<3>}	117.8190	0.000	1	117.8190	0.000	1	117.8190	0.000	1	117.8190	0.000	1	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:3:3:3:	3:4:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[6a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(O[6]C[6])(O)	C[5,6](N[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[6]O[6]O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(O[6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[6]O[6]O){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.4930	0.000	1	121.4930	0.000	1	121.4930	0.000	1	121.4930	0.000	1	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:3:3:4:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]C)(O[6]C[6])(O)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3)	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]N[5,6]C)(O[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:4:3:1:	3:4:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(O[6]C[6])(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5,6]H)(O[6]C[6])(O){3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	115.1610	0.000	1	115.1610	0.000	1	115.1610	0.000	1	117.3137	5.745	4	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:4:3:1:	3:4:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,4|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.3730	0.000	1	118.3730	0.000	1	118.0313	5.528	3	117.3137	5.745	4	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:4:3:1:	3:4:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.5280	0.000	1	115.5280	0.000	1	118.0313	5.528	3	117.3137	5.745	4	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:4:3:1:	3:4:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.1930	0.000	1	120.1930	0.000	1	118.0313	5.528	3	117.3137	5.745	4	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:4:3:1:	4:3:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O)	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O){3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O){1|H<1>,1|N<3>,6|C<4>}	116.2960	0.000	1	116.1650	0.034	2	116.1650	0.034	2	117.1163	2.732	3	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:4:3:1:	4:3:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O)	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O){3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<4>}	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O){1|H<1>,1|N<3>,6|C<4>}	116.0340	0.000	1	116.1650	0.034	2	116.1650	0.034	2	117.1163	2.732	3	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:4:3:1:	4:3:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(O)	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(O){2|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.0190	0.000	1	119.0190	0.000	1	119.0190	0.000	1	117.1163	2.732	3	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:4:3:3:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5]2C[6])(O[6]C[5,6])(O)	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O)	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]O)	C[6](C[5,6]C[5]2C[6])(O[6]C[5,6])(O){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O){4|C<4>}	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	117.8960	0.000	1	117.8960	0.000	1	117.8960	0.000	1	117.8960	0.000	1	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:4:3:4:	3:4:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]O[6]O)(CH3)	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|S<4>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<4>}	120.2560	0.000	1	120.2560	0.000	1	120.2560	0.000	1	120.2560	0.000	1	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	3:4:4:3:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-3:C[6]-4:C[5]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O)	O[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]O){3|C<3>,4|C<4>}	116.1085	0.419	2	116.1085	0.176	2	116.1085	0.176	2	116.1085	0.176	2	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:2:3:1:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[6,6])(O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[6,6])(O){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H){1|H<1>,1|O<2>,5|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O){2|O<2>,3|C<4>,3|H<1>}	121.0070	0.000	1	121.0070	0.000	1	121.0070	0.000	1	121.0070	0.000	1	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:3:2:1:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[6]-3:N[5]-2:H-1:	C[6,6]-4:C[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(O)	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(O){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:3:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(O[6]C[6,6a])(O)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(O[6]C[6,6a])(O){6|C<3>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H){1|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	117.5995	0.769	2	117.5995	0.591	2	117.5995	0.591	2	117.3153	0.538	3	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:3:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H){4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	116.7470	0.000	1	116.7470	0.000	1	116.7470	0.000	1	117.3153	0.538	3	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:3:3:1:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[5,6])(O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	119.9260	0.000	1	119.9260	0.000	1	119.9260	0.000	1	119.9260	0.000	1	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:3:3:2:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-2:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(O)	C[5,6](C[5]C[5]HH)(C[6]O[6]O)2(N[5]C[5])	O[6](C[6]C[5,6]O)(C[6]O[6]CC)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5]HH)(C[6]O[6]O)2(N[5]C[5]){2|C<4>,2|H<1>}	O[6](C[6]C[5,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>}	118.0390	0.074	4	118.0390	0.005	4	118.0390	0.005	4	117.9073	0.047	12	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:3:3:2:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O)	C[5,6](C[5]C[5]CH)(C[6]O[6]O)2(O[5]C[5])	O[6](C[6]C[5,6]O)(C[6]O[6]CC)	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5]C[5]CH)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|O<2>}	117.7938	0.181	6	117.7938	0.033	6	117.8415	0.057	8	117.9073	0.047	12	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:3:3:2:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O)	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5])	O[6](C[6]C[5,6]O)(C[6]O[6]CC)	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6]C[5,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|O<2>}	117.9845	0.422	2	117.9845	0.178	2	117.8415	0.057	8	117.9073	0.047	12	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:3:3:3:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[6]-3:N[5]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]O[6]O)(N[5]C[5]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]O[6]O)(N[5]C[5]H)(COO){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.9500	0.000	1	118.9500	0.000	1	118.9500	0.000	1	118.9500	0.000	1	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:3:4:3:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O)	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O)	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O){2|O<2>,4|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	115.6750	0.000	1	115.9920	0.201	2	115.9920	0.201	2	115.9920	0.201	2	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:3:4:3:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O)	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O)	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	116.3090	0.000	1	115.9920	0.201	2	115.9920	0.201	2	115.9920	0.201	2	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5,5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	117.6875	0.747	2	117.6875	0.559	2	117.6875	0.559	2	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	117.9960	0.000	1	117.8307	0.025	3	117.6148	0.402	6	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	117.7480	0.092	2	117.8307	0.025	3	117.6148	0.402	6	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	117.2030	0.000	1	116.8995	0.184	2	117.6148	0.402	6	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|H<1>,1|N<4>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	116.5960	0.000	1	116.8995	0.184	2	117.6148	0.402	6	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	118.3980	0.000	1	118.3980	0.000	1	117.6148	0.402	6	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(H)	O[6](C[6]C[5,6]O)2	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[5,6]O)2{1|H<1>,4|C<4>}	116.1697	0.055	3	116.1697	0.003	3	118.6052	2.718	12	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	O[6](C[6]C[5,6]O)(C[6]C[6]C){2|C<4>,2|H<1>}	119.6850	0.000	1	119.6850	0.000	1	118.6052	2.718	12	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	119.1420	0.311	2	119.1420	0.097	2	118.6052	2.718	12	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	119.5785	1.220	2	119.5785	1.488	2	118.6052	2.718	12	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	O[6](C[6]C[5,6]O)(C[6]C[6]C){2|C<4>,2|H<1>}	118.4110	0.539	2	118.4110	0.290	2	118.6052	2.718	12	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	120.4025	0.217	2	120.4025	0.047	2	118.6052	2.718	12	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:S-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(S)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]S)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(S){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H){1|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	116.5610	0.000	1	116.5610	0.000	1	116.5610	0.000	1	118.1375	1.981	21	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(O)	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	O[6](C[6]C[5,6]O)(C[6]C[6]CH){1|O<2>,2|C<4>,2|H<1>}	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	119.2383	1.907	6	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(O)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H){3|C<4>,4|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){2|C<4>,3|H<1>}	119.2320	0.000	1	119.2320	0.000	1	119.2320	0.000	1	119.2383	1.907	6	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|O<2>,2|C<4>,4|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	120.3870	0.000	1	120.3870	0.000	1	119.1492	3.124	4	119.2383	1.907	6	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H){1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|H<1>,3|C<4>}	120.9310	0.000	1	120.9310	0.000	1	119.1492	3.124	4	119.2383	1.907	6	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H){2|C<4>,2|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]CH){2|C<4>,3|H<1>}	117.6395	0.325	2	117.6395	0.105	2	119.1492	3.124	4	119.2383	1.907	6	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:	C[6](C[5,6]C[5,5,3x6]C[5]H)(O[6]C[3x6])(O)	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H)	O[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[5,6]O)	C[6](C[5,6]C[5,5,3x6]C[5]H)(O[6]C[3x6])(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	O[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[5,6]O){1|N<3>,3|H<1>,4|C<4>}	118.9740	0.000	1	118.9740	0.000	1	118.9740	0.000	1	118.8476	3.610	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[5,6])(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[5,6])(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O){2|O<2>,3|C<4>,3|H<1>}	121.3290	0.000	1	121.3290	0.000	1	121.3290	0.000	1	118.8476	3.610	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6,6])(O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6,6])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O){1|O<1>,3|C<4>,3|H<1>}	116.6500	0.000	1	116.6500	0.000	1	116.6500	0.000	1	118.8476	3.610	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(O){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H){1|H<1>,3|C<4>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O){3|H<1>,5|C<4>}	117.3480	0.000	1	117.3480	0.000	1	117.3480	0.000	1	118.8476	3.610	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	119.9370	0.000	1	119.9370	0.000	1	119.9370	0.000	1	118.8476	3.610	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:2:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]O[6])(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6])	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5]O[6])(O[6]C[6])(O){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6]){1|O<1>,3|C<4>,5|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<4>}	118.5370	0.000	1	118.5370	0.000	1	118.5370	0.000	1	119.0080	0.166	3	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:2:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-2:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5]2N[6])(O[6]C[6])(O)	C[5,6](C[5]C[5]HH)2(C[6]O[6]O)(N[6]C[6])	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[5,6]C[5]2N[6])(O[6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]O[6]O)(N[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]CC){1|N<2>,1|O<2>,2|C<4>}	119.2435	0.001	2	119.2435	0.000	2	119.2435	0.000	2	119.0080	0.166	3	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:2:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]O)(O[6]C[6])(O)	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,6]O)	C[6](C[5,6]C[5,5]C[5,6]O)(O[6]C[6])(O){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,6]O){1|C<3>,1|O<2>,3|C<4>}	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	117.0930	11.868	2	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:2:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]O)(O[6]C[6,6])(O)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6,6]C[5]O)(O[6]C[6,6])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH){1|O<1>,2|C<3>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	119.5290	0.000	1	119.5290	0.000	1	119.5290	0.000	1	117.0930	11.868	2	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:3:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO){6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<4>,3|C<3>}	118.4040	0.000	1	118.4040	0.000	1	118.4040	0.000	1	118.9114	3.138	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:3:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)(COO)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)(COO){2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O){1|H<1>,2|C<4>,3|C<3>}	120.7185	0.289	2	120.7185	0.084	2	120.7185	0.084	2	118.9114	3.138	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:3:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH){1|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	118.9114	3.138	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:3:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O)	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<4>,3|C<3>}	116.7040	0.000	1	116.7040	0.000	1	116.7040	0.000	1	118.9114	3.138	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:3:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,5,6,6]-4:C[5]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-3:	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(O)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]O)(NCH)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]O)(NCH){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.3400	0.000	1	121.3400	0.000	1	121.3400	0.000	1	119.3154	7.127	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:3:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6])(O)	C[5,6](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[6]C[6]O)(C[6]O[6]O)	O[6](C[6]C[5]C[6]C)(C[6]C[5,6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[6]C[6]O)(C[6]O[6]O){1|C<3>,2|C<4>,6|H<1>}	O[6](C[6]C[5]C[6]C)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.4135	0.210	2	116.4135	0.044	2	116.4135	0.044	2	119.3154	7.127	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:3:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O)	O[6](C[6]C[5a]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	O[6](C[6]C[5a]C[6]H)(C[6]C[5,6]O){2|C<4>,2|H<1>,3|C<3>}	120.7690	0.000	1	120.7690	0.000	1	120.7690	0.000	1	119.3154	7.127	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:3:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]O[6]O)(COO)	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]O[6]O)(COO){1|Br<1>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	121.6410	0.000	1	121.6410	0.000	1	121.6410	0.000	1	119.3154	7.127	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:4:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]O[6]O)(CH3){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	115.2540	0.000	1	115.2540	0.000	1	118.0320	5.799	3	117.4672	2.713	6	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:4:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	119.4210	0.148	2	119.4210	0.022	2	118.0320	5.799	3	117.4672	2.713	6	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:4:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	O[6](C[6]C[5,6]O)2	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|C<3>,3|H<1>}	O[6](C[6]C[5,6]O)2{1|H<1>,4|C<4>}	116.9023	0.166	3	116.9023	0.028	3	116.9023	0.028	3	117.4672	2.713	6	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:4:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|C<4>,1|O<2>,5|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]CC){2|H<1>,3|C<4>}	121.1300	0.048	2	121.1300	0.002	2	121.1300	0.002	2	121.1300	0.002	2	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:4:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6,6])(O)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3)	O[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6,6])(O){4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O){3|H<1>,5|C<4>}	116.3080	0.000	1	116.3080	0.000	1	116.3080	0.000	1	117.3530	2.184	2	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:3:4:	4:3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]O)(CCHH)	O[6](C[6]C[5,6]HH)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]O)(CCHH){1|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[5,6]O){1|H<1>,4|C<4>}	118.3980	0.000	1	118.3980	0.000	1	118.3980	0.000	1	117.3530	2.184	2	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:4:3:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(C[6]O[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(C[6]O[6]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	117.9093	0.530	4	117.9093	0.281	4	117.7892	0.283	5	117.7892	0.283	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:4:3:	3:3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]HH)(C[6]O[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]HH)(C[6]O[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	117.3090	0.000	1	117.3090	0.000	1	117.7892	0.283	5	117.7892	0.283	5	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:1:	4:4:4:3:	3:4:	C[5,6]-4:O[6]-2:O-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(O)	C[5,6](C[5]C[5]HH)(C[5]C[5]HN)(C[6]C[6]HH)(C[6]O[6]O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(O){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[5]C[5]HN)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,4|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	120.6140	0.000	2	120.6140	0.000	2	120.6140	0.000	2	120.6140	0.000	2	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:2:	4:4:3:2:	4:3:	C[5,6]-4:O[6]-2:N-2:	C[5,6]-4:C[5]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(NH)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]HH)(C[6]O[6]N)(CN)	O[6](C[6]C[5,6]HH)(C[6]C[5,6]N)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(NH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]HH)(C[6]O[6]N)(CN){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[5,6]HH)(C[6]C[5,6]N){1|C<2>,1|H<1>,3|C<4>}	117.6420	0.225	2	117.6420	0.051	2	117.6420	0.051	2	117.6420	0.051	2	118.2486	2.779	102	118.2323	2.833	139
762	474	622	6:SP2_SP2_SP3	C[6]	C[5,6]	O[6]	4:2:3:	4:4:3:1:	3:3:	C[5,6]-4:O[6]-2:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCH)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCH){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H){1|C<2>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[5,6]C){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	116.2120	0.000	1	116.2120	0.000	1	116.2120	0.000	1	116.2120	0.000	1	118.2486	2.779	102	118.2323	2.833	139
762	474	643	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,3x6]-4:C[6,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2)	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H)	C[6a](C[6,6]C[5,3x6]C[6,6])(C[6a]C[6a]H)2	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,9|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H){10|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6]C[5,3x6]C[6,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	118.7400	0.000	1	118.7400	0.000	1	118.7400	0.000	1	118.7400	0.000	1	118.7400	0.000	1	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6,6]-3:	C[5,6a]-3:C[6,6]-3:O[5,6]-2:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H)	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	122.4740	0.000	1	122.4740	0.000	1	122.4740	0.000	1	122.4740	0.000	1	122.4740	0.000	1	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[5,6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a])	C[6a](C[6]C[5,6,6]C[5,6])(C[6a]C[6a]H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[6a](C[6]C[5,6,6]C[5,6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	116.5970	0.000	1	116.5970	0.000	1	116.5970	0.000	1	116.5970	0.000	1	116.5970	0.000	1	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:2:	3:3:2:2:	3:3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6])	C[5,6](C[6]C[6a]N[6])2(O[5]C[5,6a])2	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6]){1|N<2>,2|H<1>,5|C<3>}	C[5,6](C[6]C[6a]N[6])2(O[5]C[5,6a])2{1|S<2>,6|C<3>}	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>,2|O<2>}	119.4710	2.589	2	119.4710	6.705	2	119.4710	6.705	2	119.4710	6.705	2	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	N[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6a]C[6a]2)(N[6]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6a]C[6a]2)(N[6]C[6]){3|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	118.3450	0.000	1	118.3450	0.000	1	118.3450	0.000	1	118.3450	0.000	1	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:2:2:	3:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(C[6a]C[6a]2){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2{1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	118.5750	0.465	2	118.5750	0.216	2	118.5750	0.216	2	118.5750	0.216	2	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	117.3740	1.079	2	117.3740	1.164	2	117.3740	1.164	2	117.5313	1.094	7	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[5]-3:C[5]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	116.2060	0.000	1	116.2060	0.000	1	116.2060	0.000	1	117.5313	1.094	7	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[5]-3:C[5]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[6,6a]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[6,6a]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	118.7835	0.120	2	118.7835	0.014	2	118.7835	0.014	2	117.5313	1.094	7	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	117.0990	0.263	2	117.0990	0.069	2	117.0990	0.069	2	117.5313	1.094	7	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	118.7160	0.000	1	118.3050	0.338	2	118.3050	0.338	2	118.2835	0.156	6	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	117.8940	0.000	1	118.3050	0.338	2	118.3050	0.338	2	118.2835	0.156	6	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	118.2440	0.000	1	118.0530	0.073	2	118.0530	0.073	2	118.2835	0.156	6	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	117.8620	0.000	1	118.0530	0.073	2	118.0530	0.073	2	118.2835	0.156	6	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]N)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]N){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	118.4925	0.416	2	118.4925	0.173	2	118.4925	0.173	2	118.2835	0.156	6	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,5|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	115.9160	0.000	1	115.9160	0.000	1	115.9160	0.000	1	116.5927	3.851	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	118.9400	0.000	1	118.9400	0.000	1	118.9400	0.000	1	116.5927	3.851	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	114.3100	0.000	1	114.3100	0.000	1	115.7575	4.191	2	116.5927	3.851	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	117.2050	0.000	1	117.2050	0.000	1	115.7575	4.191	2	116.5927	3.851	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]HN)(C[6]C[6]HH)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,2|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]HN)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	121.6645	0.141	2	121.6645	0.020	2	121.6645	0.020	2	121.6645	0.020	2	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH){4|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.6690	0.000	1	121.6690	0.000	1	121.6690	0.000	1	121.6690	0.000	1	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:C[5]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5])	C[6a](C[6]C[5,6]2)(C[6a]C[6a]F)2	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,2|N<2>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5]){10|C<3>,1|H<1>,1|N<3>}	C[6a](C[6]C[5,6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	119.8750	0.000	1	119.8750	0.000	1	119.8750	0.000	1	118.7360	2.595	2	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	118.7360	2.595	2	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	120.3590	0.000	1	120.3590	0.000	1	120.3590	0.000	1	120.3590	0.000	1	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	117.3930	1.105	2	117.3930	1.220	2	116.5978	1.583	4	116.5978	1.583	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	115.8025	0.999	2	115.8025	0.998	2	116.5978	1.583	4	116.5978	1.583	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-3:F-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]F)2	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F){1|C<4>,1|O<1>,2|H<1>,3|F<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]F)2{2|C<3>,2|C<4>,4|F<1>}	117.8115	0.465	2	117.8115	0.216	2	117.8115	0.216	2	117.8115	0.216	2	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C[5]-3:C[5]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	119.7170	0.000	1	119.3355	0.291	2	119.3355	0.291	2	119.3355	0.291	2	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C[5]-3:C[5]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2{3|H<1>,7|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	118.9540	0.000	1	119.3355	0.291	2	119.3355	0.291	2	119.3355	0.291	2	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	120.3120	0.000	1	120.3120	0.000	1	120.3120	0.000	1	120.3120	0.000	1	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	115.8920	0.000	1	115.8920	0.000	1	115.8920	0.000	1	118.4730	3.158	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	119.3210	0.000	1	119.3210	0.000	1	119.3210	0.000	1	118.4730	3.158	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	119.8840	0.000	1	119.8840	0.000	1	119.8840	0.000	1	118.4730	3.158	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1	118.4730	3.158	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5,6]C[5]O)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.1305	0.206	2	119.1305	0.042	2	119.1305	0.042	2	119.1305	0.042	2	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	116.8070	0.000	1	116.8070	0.000	1	117.8885	1.143	4	117.8885	1.143	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	118.7750	0.457	2	118.7750	0.209	2	117.8885	1.143	4	117.8885	1.143	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	117.1970	0.000	1	117.1970	0.000	1	117.8885	1.143	4	117.8885	1.143	4	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,5]-4:C[5,6]-4:C[6]-3:N-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]S)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(NHO)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]S){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(NHO){1|S<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>,3|C<4>}	116.2390	0.000	1	116.2390	0.000	1	116.2390	0.000	1	118.2265	7.900	2	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	118.2265	7.900	2	118.3105	2.756	49	118.4260	3.005	54
762	474	643	0:SP2_SP2_SP3	C[6]	C[5]	C[6,6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:N[6]-2:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]S[6])	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]S[6]){1|O<2>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	119.9890	1.269	2	119.9890	1.609	2	119.9890	1.609	2	119.9890	1.609	2	119.9890	1.609	2	118.4260	3.005	54
762	474	643	6:SP2_SP2_SP3	C[3x6]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[5,6,6]2)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[5,6,6]2){4|C<4>,8|C<3>}	119.8420	0.000	1	119.8420	0.000	1	119.8420	0.000	1	120.0705	0.104	2	120.0705	0.104	2	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[3x6]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2)	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2){4|C<4>,7|C<3>}	120.2990	0.000	1	120.2990	0.000	1	120.2990	0.000	1	120.0705	0.104	2	120.0705	0.104	2	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6a]	3:4:3:	4:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6,6]C[5,6]2C[6a])(C[6]C[5,6]C[6a])	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6,6]C[5,6]2C[6a])(C[6]C[5,6]C[6a]){12|C<3>,1|H<1>}	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2){11|C<3>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	111.4250	0.148	2	111.4250	0.022	2	111.4250	0.022	2	111.4250	0.022	2	114.4343	7.316	9	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:N[5,6]-3:N[5]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[5,6,6]C[6,6a]N[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6])(N[5,6]C[5]C[6])(N[5]C[5]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6,6]N[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[6,6a]N[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6])(N[5,6]C[5]C[6])(N[5]C[5]H){1|C<4>,1|N<2>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6,6]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	114.6430	0.000	1	114.6430	0.000	1	114.6430	0.000	1	114.6430	0.000	1	114.4343	7.316	9	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6a]	4:3:2:	3:4:4:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:N[6]-2:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6]N[6])	C[5,6,6](C[6,6]C[6,6a]N[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6a](C[6,6]C[5,6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6]N[6]){3|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6a]N[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	120.3280	0.000	1	120.3280	0.000	1	120.3280	0.000	1	120.3280	0.000	1	114.4343	7.316	9	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	115.9690	0.000	1	115.9690	0.000	1	115.9690	0.000	1	115.9690	0.000	1	114.4343	7.316	9	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	N[5,5a,6]-3:C[6,6]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3)	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3){1|O<2>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	114.4343	7.316	9	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<2>,2|B<3>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){2|C<4>,5|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	113.9450	0.000	1	113.5880	0.131	3	113.5880	0.131	3	113.5880	0.131	3	114.4343	7.316	9	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	113.5990	0.000	1	113.5880	0.131	3	113.5880	0.131	3	113.5880	0.131	3	114.4343	7.316	9	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	113.2200	0.000	1	113.5880	0.131	3	113.5880	0.131	3	113.5880	0.131	3	114.4343	7.316	9	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6,6a]-3:C[5,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6a,6a]-3:C[6,6]-3:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6]C[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|O<1>,2|O<2>,3|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6]C[6]){1|H<1>,1|O<2>,4|C<4>,5|C<3>}	116.5703	0.503	3	116.5703	0.253	3	116.5703	0.253	3	116.5703	0.253	3	116.5703	0.253	3	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[5,5,3x6]-4:C[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,2|O<1>,5|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	116.8670	0.000	1	116.8670	0.000	1	116.8670	0.000	1	116.8670	0.000	1	119.9078	5.045	10	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	116.6565	0.025	2	116.6565	0.001	2	116.6565	0.001	2	116.6565	0.001	2	119.9078	5.045	10	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,3x6](C[5,3x6]C[5,5,6]C[6]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,4|H<1>,5|C<3>}	C[5,3x6](C[5,3x6]C[5,5,6]C[6]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	121.5350	0.396	5	121.5350	0.157	5	121.5350	0.157	5	121.2711	0.334	7	119.9078	5.045	10	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,3x6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,3x6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,3x6]C[5,5,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,4|H<1>,5|C<3>}	C[5,3x6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,3x6]C[5,5,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	120.6115	0.394	2	120.6115	0.155	2	120.6115	0.155	2	121.2711	0.334	7	119.9078	5.045	10	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6,6a]	4:3:1:	4:3:2:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[6]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	113.0960	0.000	1	113.0960	0.000	1	113.0960	0.000	1	113.5170	0.354	2	115.8445	5.751	6	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6,6a]	4:3:1:	4:3:2:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[6]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,5,6](C[5,5]C[5]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]C[5]HH){4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	113.9380	0.000	1	113.9380	0.000	1	113.9380	0.000	1	113.5170	0.354	2	115.8445	5.751	6	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	118.5550	0.000	1	118.5550	0.000	1	118.5550	0.000	1	118.7240	0.057	2	115.8445	5.751	6	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6,6a]O)(O[5]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,5,6]O)	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,4|C<3>,4|O<2>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6,6a]O)(O[5]C[5]){2|C<3>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,5,6]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	118.8930	0.000	1	118.8930	0.000	1	118.8930	0.000	1	118.7240	0.057	2	115.8445	5.751	6	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,5,6](C[5,5,6]C[5,6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH){10|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	115.6900	0.000	1	115.6900	0.000	1	115.6900	0.000	1	115.6900	0.000	1	115.8445	5.751	6	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6,6a]	4:3:1:	4:4:4:3:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5,5,6]O)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5,5,6]O){1|H<1>,2|C<3>,4|C<4>}	114.8950	0.000	1	114.8950	0.000	1	114.8950	0.000	1	114.8950	0.000	1	115.8445	5.751	6	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6a]	4:3:1:	3:3:2:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6]-3:C[6]-3:O[5,6]-2:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.1300	0.000	1	115.1300	0.000	1	115.1300	0.000	1	115.1300	0.000	1	119.2388	3.799	23	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:O-1:	N[5,6,6]-3:C[5]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	115.1050	0.000	1	115.1050	0.000	1	115.1050	0.000	1	115.1050	0.000	1	119.2388	3.799	23	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6a]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6,6]H)(C[6a]C[6a]H)	C[6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H){1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.5130	0.000	1	121.5130	0.000	1	121.5130	0.000	1	121.5130	0.000	1	119.2388	3.799	23	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6a]	4:3:1:	4:3:2:2:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	117.7740	0.000	1	117.7740	0.000	1	117.7740	0.000	1	117.7740	0.000	1	119.2388	3.799	23	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.2998	0.088	4	120.2998	0.008	4	119.6458	1.381	12	119.9474	1.324	16	119.2388	3.799	23	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){2|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	116.4010	0.000	1	116.4010	0.000	1	119.6458	1.381	12	119.9474	1.324	16	119.2388	3.799	23	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.7035	0.752	6	119.7035	0.565	6	119.6458	1.381	12	119.9474	1.324	16	119.2388	3.799	23	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.9280	0.000	1	119.9280	0.000	1	119.6458	1.381	12	119.9474	1.324	16	119.2388	3.799	23	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6,6]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	120.8525	0.316	4	120.8525	0.100	4	120.8525	0.100	4	119.9474	1.324	16	119.2388	3.799	23	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6,6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,2|C<4>,3|C<3>,3|H<1>,4|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	119.0410	1.418	2	119.0410	2.012	2	119.0410	2.012	2	119.0410	2.012	2	119.2388	3.799	23	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	115.7290	0.000	1	115.7290	0.000	1	115.7290	0.000	1	115.7290	0.000	1	119.2388	3.799	23	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:2:2:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:O[5]-2:O[5]-2:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O)	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C){1|O<1>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H){1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	114.4630	0.000	1	114.4630	0.000	1	113.9635	0.499	2	113.9635	0.499	2	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.4640	0.000	1	113.4640	0.000	1	113.9635	0.499	2	113.9635	0.499	2	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O){8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	113.5040	0.000	1	113.5040	0.000	1	113.5040	0.000	1	116.6245	19.475	2	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5a,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O){1|H<1>,2|O<1>,6|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|N<2>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	119.7450	0.000	1	119.7450	0.000	1	119.7450	0.000	1	116.6245	19.475	2	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O)	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,8|C<3>}	117.0000	0.000	1	117.0000	0.000	1	117.0000	0.000	1	116.8705	0.034	2	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5a,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O)	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,8|C<3>}	116.7410	0.000	1	116.7410	0.000	1	116.7410	0.000	1	116.8705	0.034	2	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	117.0670	0.000	1	117.0670	0.000	1	117.2190	0.330	3	116.6865	1.354	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	117.8540	0.000	1	117.2950	0.625	2	117.2190	0.330	3	116.6865	1.354	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	116.7360	0.000	1	117.2950	0.625	2	117.2190	0.330	3	116.6865	1.354	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	116.6865	1.354	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[6]-3:C[5]-4:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN){1|Si<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Si<4>,1|C<2>,1|C<4>,2|C<3>,2|H<1>}	113.3545	0.186	2	113.3545	0.035	2	113.3545	0.035	2	113.6767	0.152	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[6]-3:C[5]-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.9990	0.068	2	113.9990	0.005	2	113.9990	0.005	2	113.6767	0.152	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6,6a]O)(Cl)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6,6a]O)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	116.2380	0.000	1	116.2380	0.000	1	116.2380	0.000	1	116.9833	0.689	3	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<4>,2|H<1>,4|C<3>}	117.3560	0.738	2	117.3560	0.545	2	117.3560	0.545	2	116.9833	0.689	3	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O){2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]O){1|Br<1>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.1680	0.000	1	118.1680	0.000	1	118.1680	0.000	1	117.7810	0.593	3	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	117.7810	0.593	3	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[6]-4:C[5]-3:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){4|H<1>,5|C<3>}	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	116.8940	0.000	1	116.8940	0.000	1	116.8940	0.000	1	117.7810	0.593	3	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[6]-4:C[5]-3:N[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)(N[5]N[5]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)(N[5]N[5]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.5465	0.716	2	117.5465	0.513	2	117.5465	0.513	2	117.5465	0.513	2	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	116.6770	0.000	1	116.6770	0.000	1	116.6770	0.000	1	116.6770	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	119.1360	0.000	1	119.2545	0.028	2	118.7407	0.806	3	118.5065	0.757	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	119.3730	0.000	1	119.2545	0.028	2	118.7407	0.806	3	118.5065	0.757	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C){1|S<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	117.7130	0.000	1	117.7130	0.000	1	118.7407	0.806	3	118.5065	0.757	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6]O){2|C<4>,2|H<1>,3|C<3>}	117.8040	0.000	1	117.8040	0.000	1	117.8040	0.000	1	118.5065	0.757	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)2(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)2(C[6]N[6]HH){1|S<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	117.8680	0.000	1	117.8680	0.000	1	117.8680	0.000	1	117.8680	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:Br-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O){1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br){4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:2:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O){1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	116.5200	0.000	1	116.5200	0.000	1	116.5200	0.000	1	118.2210	2.521	3	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:2:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	118.4790	0.000	1	119.0715	0.702	2	119.0715	0.702	2	118.2210	2.521	3	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:2:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	119.6640	0.000	1	119.0715	0.702	2	119.0715	0.702	2	118.2210	2.521	3	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	118.2600	0.000	1	118.2600	0.000	1	118.2600	0.000	1	118.2600	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.4540	0.000	1	120.4540	0.000	1	118.7385	5.886	2	117.8890	3.561	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<3>,2|C<4>,2|O<2>}	117.0230	0.000	1	117.0230	0.000	1	118.7385	5.886	2	117.8890	3.561	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:N[6]-3:C[6]-3:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5]){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	117.8890	3.561	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-3:C[5]-3:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5]){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.0620	0.000	1	116.0620	0.000	1	116.0620	0.000	1	117.8890	3.561	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){3|H<1>,7|C<3>}	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	118.0395	0.671	2	118.0395	0.450	2	118.0395	0.450	2	118.4920	0.993	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:N[5]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[5]N[6])(O)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[5]N[6])(O){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O){2|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	119.8690	0.000	1	119.8690	0.000	1	119.8690	0.000	1	118.4920	0.993	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	118.0200	0.000	1	118.0200	0.000	1	118.0200	0.000	1	118.4920	0.993	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	117.4355	0.453	2	117.4355	0.205	2	117.4355	0.205	2	117.5690	0.156	3	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:N[5]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)(C[6]C[6]HH){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	117.8360	0.000	1	117.8360	0.000	1	117.8360	0.000	1	117.5690	0.156	3	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	119.0590	0.000	1	119.0590	0.000	1	116.8322	2.482	13	116.9375	2.582	15	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	118.0810	0.000	1	118.0810	0.000	1	116.8322	2.482	13	116.9375	2.582	15	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	120.1480	0.000	1	120.1480	0.000	1	116.8322	2.482	13	116.9375	2.582	15	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	114.8660	0.028	2	114.8660	0.001	2	116.8322	2.482	13	116.9375	2.582	15	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	116.2240	0.000	1	116.2240	0.000	1	116.8322	2.482	13	116.9375	2.582	15	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	116.5668	0.813	6	116.5668	0.662	6	116.8322	2.482	13	116.9375	2.582	15	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	116.1730	0.000	1	116.1730	0.000	1	116.8322	2.482	13	116.9375	2.582	15	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.6225	2.297	2	117.6225	5.278	2	117.6225	5.278	2	116.9375	2.582	15	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	116.8740	0.000	1	116.8740	0.000	1	116.6717	2.981	7	116.7408	2.302	9	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.7220	0.000	1	114.7220	0.000	1	116.6717	2.981	7	116.7408	2.302	9	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.0090	0.639	2	117.7020	1.388	4	116.6717	2.981	7	116.7408	2.302	9	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	119.3530	0.000	1	117.7020	1.388	4	116.6717	2.981	7	116.7408	2.302	9	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	117.4370	0.000	1	117.7020	1.388	4	116.6717	2.981	7	116.7408	2.302	9	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5]){5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.2980	0.000	1	114.2980	0.000	1	116.6717	2.981	7	116.7408	2.302	9	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.9825	0.617	2	116.9825	0.381	2	116.9825	0.381	2	116.7408	2.302	9	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	112.1740	0.325	2	112.1740	0.106	2	112.1740	0.106	2	116.1526	13.300	5	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<2>,1|S<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	118.8915	0.532	2	118.8915	0.284	2	118.8915	0.284	2	116.1526	13.300	5	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:N[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(N[5]N[5]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(N[5]N[5]H){1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	118.6320	0.000	1	118.6320	0.000	1	118.6320	0.000	1	116.1526	13.300	5	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	119.0300	0.000	1	119.0300	0.000	1	116.3855	3.751	4	116.3855	3.751	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	115.0490	0.829	2	115.0490	0.687	2	116.3855	3.751	4	116.3855	3.751	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){2|N<3>,2|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN){1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	116.4140	0.000	1	116.4140	0.000	1	116.3855	3.751	4	116.3855	3.751	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[5,6]H)(O)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]O[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[5,6]H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H){2|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]O[6a]H){1|H<1>,2|C<4>,3|C<3>}	116.7160	0.214	2	116.7160	0.046	2	116.7160	0.046	2	116.7767	1.887	6	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<3>,2|H<1>,4|C<4>}	115.6480	0.882	2	115.6480	0.779	2	115.6480	0.779	2	116.7767	1.887	6	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	116.6960	0.000	1	116.6960	0.000	1	116.6960	0.000	1	116.7767	1.887	6	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5,6]HH)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5,6]HH)(C[6]C[6,6a]O)(H){1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.2360	0.000	1	119.2360	0.000	1	119.2360	0.000	1	116.7767	1.887	6	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]O)(CN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]O)(CN){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	115.3115	0.629	2	115.3115	0.395	2	115.3115	0.395	2	114.8570	0.600	5	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5]){7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.5540	0.811	3	114.5540	0.658	3	114.5540	0.658	3	114.8570	0.600	5	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-4:N[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O){9|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	116.0810	0.000	1	116.0810	0.000	1	116.0810	0.000	1	116.0810	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[5]C[6])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[5,6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[5]C[6])(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[5,6]O){2|H<1>,3|C<3>,3|C<4>}	114.5780	0.000	1	114.5780	0.000	1	114.5780	0.000	1	116.2436	3.204	5	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	115.8343	0.764	3	115.8343	0.583	3	116.6600	3.116	4	116.2436	3.204	5	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<2>,1|S<2>,5|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH){7|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	119.1370	0.000	1	119.1370	0.000	1	116.6600	3.116	4	116.2436	3.204	5	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:2:	4:3:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-2:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	119.6465	1.324	2	119.6465	1.754	2	119.6465	1.754	2	119.6465	1.754	2	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:3:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CHH)	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CHH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	115.7320	0.000	1	115.7320	0.000	1	115.7320	0.000	1	115.7320	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-3:	C[5]-3:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH)	C[5,6](C[5]C[5]N[6])(C[6]C[6,6a]C)(C[6]C[6]HH)(O[5]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5]C[5]N[6])(C[6]C[6,6a]C)(C[6]C[6]HH)(O[5]C[5]){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	116.5940	0.000	1	116.5940	0.000	1	116.5940	0.000	1	116.5940	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]H)(COO){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H){3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C){1|C<4>,2|H<1>,6|C<3>}	121.7190	0.000	1	121.7190	0.000	1	121.7190	0.000	1	121.7190	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	112.9240	0.000	1	112.9240	0.000	1	112.9240	0.000	1	112.9240	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCH)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H){1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	114.2770	0.000	1	114.2770	0.000	1	114.2770	0.000	1	113.6225	0.301	11	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-3:	C[5]-4:C[6]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	113.5570	0.531	10	113.5570	0.282	10	113.5570	0.282	10	113.6225	0.301	11	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(COO)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(COO){3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H){5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C){2|C<4>,2|H<1>,5|C<3>}	119.7320	0.000	1	119.7320	0.000	1	119.7320	0.000	1	119.7320	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:2:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:O[5]-2:P[5]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[5]B[5,5a])(P[5]O[5]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O){1|B<4>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[5]B[5,5a])(P[5]O[5]CC){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,3|C<3>}	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.7190	0.000	1	119.7190	0.000	1	119.7190	0.000	1	117.6169	2.773	10	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.3490	0.263	2	118.3490	0.069	2	118.3490	0.069	2	117.6169	2.773	10	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	116.7440	0.000	1	116.5435	0.080	2	116.5435	0.080	2	117.6169	2.773	10	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	116.3430	0.000	1	116.5435	0.080	2	116.5435	0.080	2	117.6169	2.773	10	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.6200	0.000	1	119.6200	0.000	1	119.6200	0.000	1	117.6169	2.773	10	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	117.5433	1.168	3	117.5433	1.364	3	117.5433	1.364	3	117.6169	2.773	10	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	N[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	114.4150	0.000	1	114.4150	0.000	1	114.4150	0.000	1	117.6169	2.773	10	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	114.6260	0.000	1	114.6260	0.000	1	114.1186	1.073	5	114.1186	1.073	5	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|Br<1>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	114.4350	1.772	2	113.9917	1.323	4	114.1186	1.073	5	114.1186	1.073	5	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	113.5485	0.210	2	113.9917	1.323	4	114.1186	1.073	5	114.1186	1.073	5	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:4:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]C[5]){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	117.8730	0.000	1	117.8730	0.000	1	117.8730	0.000	1	117.8730	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]O)(N[5]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]O)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.7682	0.405	4	116.7682	0.164	4	116.7682	0.164	4	116.7682	0.164	4	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	3:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){3|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	118.5870	0.000	1	118.5870	0.000	1	118.5870	0.000	1	118.5870	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	119.3100	0.000	1	119.3100	0.000	1	119.3100	0.000	1	119.3100	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:3:4:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	116.7900	0.388	3	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:3:4:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:C[6]-3:C[5]-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	116.5230	0.590	2	116.5230	0.348	2	116.5230	0.348	2	116.7900	0.388	3	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6a]O)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6a]O)(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	115.2580	0.000	1	115.2580	0.000	1	115.2580	0.000	1	115.2580	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3){2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	118.3170	0.000	1	118.3170	0.000	1	118.3170	0.000	1	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	116.3570	0.000	1	116.3570	0.000	1	116.3570	0.000	1	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	118.6630	0.000	1	118.6630	0.000	1	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	118.9040	0.433	3	118.5936	1.545	5	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	116.5340	0.000	1	118.5936	1.545	5	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	119.7220	0.000	1	118.5936	1.545	5	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	119.0260	0.000	1	119.0260	0.000	1	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	116.7130	0.000	1	116.7130	0.000	1	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	114.8390	0.000	1	114.7215	0.028	2	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	114.6040	0.000	1	114.7215	0.028	2	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	116.6140	0.000	1	115.5453	1.065	3	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	115.0110	0.646	2	115.5453	1.065	3	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	117.9925	0.967	2	117.9925	0.934	2	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	114.3310	0.000	1	114.3310	0.000	1	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|O<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	118.2090	0.000	1	118.2090	0.000	1	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	114.1540	0.000	1	114.1540	0.000	1	117.0071	3.783	18	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	118.3090	0.180	2	118.3090	0.032	2	118.3090	0.032	2	117.1555	3.304	22	116.5621	4.336	165	116.9227	5.736	218
762	474	643	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C-3:	C[5,6a]-3:C[6]-3:O[5]-2:O[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6]){4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|O<2>,3|H<1>}	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	116.5621	4.336	165	116.9227	5.736	218
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[5a,6]	4:3:1:	3:3:4:3:	3:3:3:	C[5,3x6]-4:C[5a,6]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H){1|C<4>,1|N<2>,8|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H){1|C<4>,4|C<3>}	120.5310	0.000	1	120.5310	0.000	1	120.5220	0.000	2	120.5220	0.000	2	120.5220	0.000	2	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[5a,6]	4:3:1:	3:3:4:3:	3:3:3:	C[5,3x6]-4:C[5a,6]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H){1|C<4>,1|N<2>,8|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H){1|C<4>,4|C<3>}	120.5130	0.000	1	120.5130	0.000	1	120.5220	0.000	2	120.5220	0.000	2	120.5220	0.000	2	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,5,6,6]	C[5a,6]	4:3:3:	4:4:3:3:	3:3:3:	C[5,5,6,6]-4:C[5a,6]-3:C-3:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH)	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5,5,6,6]C)(N[5a]C[5a,6a]H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C){1|C<3>,1|N<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5,5,6,6]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5a,6]	3:4:1:	3:2:2:1:	3:3:3:	C[5a,6]-3:C[5,6]-4:O-1:	C[6]-3:O[5,6]-2:O[5]-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O)	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O){1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	112.2370	0.000	1	112.5595	0.208	2	112.5595	0.208	2	112.5595	0.208	2	113.0860	4.980	14	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5a,6]	3:4:1:	3:2:2:1:	3:3:3:	C[5a,6]-3:C[5,6]-4:O-1:	C[6]-3:O[5,6]-2:O[5]-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O)	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O){1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	112.8820	0.000	1	112.5595	0.208	2	112.5595	0.208	2	112.5595	0.208	2	113.0860	4.980	14	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5a,6]	3:4:1:	3:3:4:1:	3:3:2:	C[5a,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	112.3105	0.566	2	112.3105	0.321	2	112.3105	0.321	2	113.1817	2.437	3	113.0860	4.980	14	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5a,6]	3:4:1:	3:3:4:1:	3:3:2:	C[5a,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(S[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	113.1817	2.437	3	113.0860	4.980	14	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5a,6]	3:4:1:	3:4:3:3:	3:3:3:	C[5a,6]-3:C[5,6]-4:H-1:	C[6]-3:C[5]-4:C[5]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H)	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.3260	0.000	1	114.3260	0.000	1	114.3260	0.000	1	114.3260	0.000	1	113.0860	4.980	14	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5a,6]	3:4:1:	4:3:2:4:	3:3:2:	C[5a,6]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:O[5,6]-2:C-4:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.1870	0.000	1	110.1870	0.000	1	110.1870	0.000	1	110.1870	0.000	1	113.0860	4.980	14	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:2:	C[5a,6]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	114.7720	0.000	1	114.7720	0.000	1	114.7720	0.000	1	114.7720	0.000	1	113.0860	4.980	14	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5a,6]	3:4:1:	4:3:4:3:	3:3:3:	C[5a,6]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(O){1|C<3>,1|N<2>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	115.1020	0.000	1	115.1020	0.000	1	115.1020	0.000	1	115.1020	0.000	1	113.0860	4.980	14	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5a,6]	4:3:1:	4:3:2:4:	3:3:2:	C[5,6]-4:C[5a,6]-3:O-1:	C[5,5]-4:C[6]-3:O[5,6]-2:C-4:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.5080	0.806	2	110.5080	0.650	2	110.5080	0.650	2	110.4910	0.326	3	113.0860	4.980	14	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5a,6]	4:3:1:	4:3:2:4:	3:3:2:	C[5,6]-4:C[5a,6]-3:O-1:	C[5,6]-4:C[6]-3:O[5,6]-2:C-4:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	110.4910	0.326	3	113.0860	4.980	14	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5a,6]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	116.0270	0.000	1	116.0270	0.000	1	116.3400	0.196	2	116.3400	0.196	2	113.0860	4.980	14	113.9187	10.253	17
762	474	727	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5a,6]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	116.6530	0.000	1	116.6530	0.000	1	116.3400	0.196	2	116.3400	0.196	2	113.0860	4.980	14	113.9187	10.253	17
762	474	762	0:SP2_SP2_SP3	C[3x6]	C[5,3x6]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[5,3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[3x6]-3:C[5]-4:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH)	C[6](C[3x6]C[5,3x6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<2>,4|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[3x6]C[5,3x6]C[3x6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	127.4810	0.000	1	127.4810	0.000	1	127.4810	0.000	1	127.4810	0.000	1	127.4810	0.000	1	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[4x6]	C[5,6,6]	C[6,6]	4:4:3:	4:3:3:1:	3:4:1:	C[5,6,6]-4:C[6x6]-4:C[6,6]-3:	C[5,4x6]-4:C[4x6]-3:N[5]-3:H-1:	C[4x6]-3:C[3x6]-4:H-1:	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]H)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H)	C[6,6](C[4x6]C[5,6,6]C[6x6])(C[3x6]C[6,6]2H)(H)	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]H){1|O<2>,5|H<1>,7|C<4>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[4x6]C[5,6,6]C[6x6])(C[3x6]C[6,6]2H)(H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	126.3170	0.000	1	126.3170	0.000	1	126.3170	0.000	1	126.3170	0.000	1	126.3170	0.000	1	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-3:N[5]-3:N[5]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,5,6]C[5,5,6]N[5]2)(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[5,5,6](C[5,5,6]C[6,6]N[5]2)(C[6,6]C[6,6]C[6])(N[5]C[5]H)2	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,5,6]C[5,5,6]N[5]2)(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Co<7>,3|H<1>,3|N<3>,4|C<3>}	C[5,5,6](C[5,5,6]C[6,6]N[5]2)(C[6,6]C[6,6]C[6])(N[5]C[5]H)2{1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|N<3>}	121.6202	0.299	4	121.6202	0.089	4	121.6202	0.089	4	121.6202	0.089	4	121.9011	2.761	7	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,5,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	120.9540	0.000	1	120.9540	0.000	1	120.6735	0.157	2	120.6735	0.157	2	121.9011	2.761	7	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,5,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	120.3930	0.000	1	120.3930	0.000	1	120.6735	0.157	2	120.6735	0.157	2	121.9011	2.761	7	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,5,6]	C[6]	4:4:3:	4:4:3:2:	3:3:1:	C[5,5,6]-4:C[6,6]-4:C[6]-3:	C[3x5,6]-4:C[5,6]-4:C[6,6]-3:O[5]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]O[6]O)(H)	C[6,6](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]C[6])(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,7|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	125.4800	0.000	1	125.4800	0.000	1	125.4800	0.000	1	125.4800	0.000	1	121.9011	2.761	7	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[5,6]-3:O[5]-2:	C[6,6]-3:C[6]-3:C-3:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5])	C[6](C[6,6]C[5,6,6]2)(C[6]C[6]O)(CCC)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,7|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]2)(C[6]C[6]O)(CCC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	125.0440	0.000	1	125.0440	0.000	1	125.0440	0.000	1	125.0440	0.000	1	121.6770	9.365	3	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:2:	3:4:1:	C[5,6,6]-4:C[4x6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]O[6])(C[4x6]C[4x6]O[6,6]C[6])(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6])	C[6](C[6,6]C[5,6,6]C[4x6])(C[6]C[3x6]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]O[6])(C[4x6]C[4x6]O[6,6]C[6])(C[6]C[6]H){1|O<2>,5|H<1>,9|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6]){2|O<2>,7|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[4x6])(C[6]C[3x6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	119.0650	0.000	1	119.0650	0.000	1	119.0650	0.000	1	119.0650	0.000	1	121.6770	9.365	3	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:3:	3:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[6,6]-3:C[5,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[5,6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5]C)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[5,6]H){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5]C)(H){2|C<3>,7|C<4>}	120.9220	0.000	1	120.9220	0.000	1	120.9220	0.000	1	120.9220	0.000	1	121.6770	9.365	3	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6,6a]-3:C[5,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H)	C[6](C[6,6]C[6,6,6a]C[5,6])(C[6]C[6,6a]O)(OC)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|O<1>,2|O<2>,3|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]C[5,6])(C[6]C[6,6a]O)(OC){1|H<1>,2|C<4>,3|C<3>}	122.5783	0.713	3	122.5783	0.508	3	122.5783	0.508	3	122.5783	0.508	3	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[6]-3:C[5]-3:	C[6,6]-3:C[6]-3:C-3:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O){2|O<2>,5|C<3>}	122.2460	0.000	1	122.2460	0.000	1	122.2460	0.000	1	122.2460	0.000	1	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	116.1725	0.383	2	116.1725	0.146	2	116.1725	0.146	2	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.7730	0.000	1	116.7537	0.056	4	116.9205	0.101	6	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	116.5690	0.000	1	116.7537	0.056	4	116.9205	0.101	6	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	116.8365	0.347	2	116.7537	0.056	4	116.9205	0.101	6	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.2430	0.000	1	117.2540	0.000	2	116.9205	0.101	6	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	117.2650	0.000	1	117.2540	0.000	2	116.9205	0.101	6	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	116.8220	0.091	3	116.8220	0.008	3	118.1986	1.427	10	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	118.2910	0.000	1	118.2910	0.000	1	118.1986	1.427	10	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	118.9085	0.969	2	118.7686	1.025	5	118.1986	1.427	10	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.4670	0.000	1	118.7686	1.025	5	118.1986	1.427	10	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	118.6070	0.000	1	118.7686	1.025	5	118.1986	1.427	10	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	119.9520	0.000	1	118.7686	1.025	5	118.1986	1.427	10	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	119.3860	0.000	1	119.3860	0.000	1	118.1986	1.427	10	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:N[5a,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){2|C<3>,2|N<3>,3|C<4>}	117.0160	0.000	1	117.0160	0.000	1	117.0160	0.000	1	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[5]-3:C[5]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	117.1250	0.000	1	117.1250	0.000	1	117.1250	0.000	1	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	N[5a,6]-3:C[5,6a]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){2|C<3>,2|N<3>,3|C<4>}	117.5655	0.026	2	117.5655	0.001	2	117.5655	0.001	2	117.5057	1.157	22	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	118.7370	0.000	1	118.7370	0.000	1	118.7370	0.000	1	118.7370	0.000	1	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:4:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	116.5580	0.000	1	116.5580	0.000	1	116.5580	0.000	1	116.5580	0.000	1	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O)	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O){1|H<1>,2|C<4>,3|C<3>}	119.2660	0.000	2	119.2660	0.000	2	119.2660	0.000	2	119.2660	0.000	2	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:4:2:2:	3:3:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.9030	0.000	1	123.3080	3.948	2	123.3080	3.948	2	123.3080	3.948	2	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:4:2:2:	3:3:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	124.7130	0.000	1	123.3080	3.948	2	123.3080	3.948	2	123.3080	3.948	2	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:4:3:1:	3:2:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]O[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6])(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]O[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>,2|O<2>}	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6])(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.5953	3.591	3	118.5953	12.895	3	118.5953	12.895	3	118.5953	12.895	3	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	123.2670	0.000	1	123.2670	0.000	1	123.2670	0.000	1	123.2670	0.000	1	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){5|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	123.2740	0.000	1	123.2740	0.000	1	119.2926	5.551	5	119.2926	5.551	5	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,3|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	118.7350	0.210	3	118.7350	0.044	3	119.2926	5.551	5	119.2926	5.551	5	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<4>,2|O<1>,2|O<2>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.9840	0.000	1	116.9840	0.000	1	119.2926	5.551	5	119.2926	5.551	5	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	122.1210	0.296	2	122.1210	0.087	2	122.1210	0.087	2	120.5070	7.859	3	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,5|C<4>}	117.2790	0.000	1	117.2790	0.000	1	117.2790	0.000	1	120.5070	7.859	3	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	117.2320	0.000	1	117.3990	1.239	3	117.3990	1.239	3	117.3990	1.239	3	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	117.4825	1.561	2	117.3990	1.239	3	117.3990	1.239	3	117.3990	1.239	3	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:2:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[5]-3:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O){1|O<1>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(O){2|C<3>,2|H<1>,3|C<4>}	116.0200	0.000	1	116.0200	0.000	1	116.0200	0.000	1	116.0200	0.000	1	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:N[5]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]N[5]O)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]N[5]O)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	120.2070	0.000	1	120.2070	0.000	1	120.2070	0.000	1	120.2070	0.000	1	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]O[6])(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]O[6])(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|O<1>,3|C<4>,4|O<2>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6a]C[6]2)(C[6]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6a]C[6]2)(C[6]C[6,6a]C[6a]){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2){2|C<4>,4|H<1>,7|C<3>}	123.4980	0.000	1	123.4980	0.000	1	123.4980	0.000	1	123.4980	0.000	1	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	127.0190	0.324	2	127.0190	0.105	2	125.3647	12.590	15	125.3647	12.590	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	127.1955	0.301	2	127.1955	0.090	2	125.3647	12.590	15	125.3647	12.590	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN){1|O<2>,3|H<1>,4|C<4>}	126.6110	0.000	1	126.6110	0.000	1	125.3647	12.590	15	125.3647	12.590	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	121.9966	4.747	5	124.5431	17.286	10	125.3647	12.590	15	125.3647	12.590	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	126.7375	0.214	2	124.5431	17.286	10	125.3647	12.590	15	125.3647	12.590	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	127.3610	0.379	2	124.5431	17.286	10	125.3647	12.590	15	125.3647	12.590	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Se<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	127.2510	0.000	1	124.5431	17.286	10	125.3647	12.590	15	125.3647	12.590	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){4|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	120.1080	0.000	1	119.5997	0.751	3	121.2844	5.712	5	121.2844	5.712	5	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){4|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	119.3455	1.056	2	119.5997	0.751	3	121.2844	5.712	5	121.2844	5.712	5	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	123.6390	0.000	1	123.8115	0.060	2	121.2844	5.712	5	121.2844	5.712	5	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	123.9840	0.000	1	123.8115	0.060	2	121.2844	5.712	5	121.2844	5.712	5	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[5,6]C[6,6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H){1|O<2>,3|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[5,6]C[6,6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	120.3200	0.000	1	120.3200	0.000	1	120.3200	0.000	1	120.3200	0.000	1	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:2:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>,3|C<4>}	120.1420	0.000	1	120.1420	0.000	1	122.8560	6.433	3	122.8560	6.433	3	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:2:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>}	125.1660	0.000	1	125.1660	0.000	1	122.8560	6.433	3	122.8560	6.433	3	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:2:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[5a,6]HH)(H)	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[5a,6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>,2|C<4>}	123.2600	0.000	1	123.2600	0.000	1	122.8560	6.433	3	122.8560	6.433	3	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:4:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){1|O<2>,6|C<4>}	119.9410	0.000	1	119.9410	0.000	1	119.9410	0.000	1	119.9410	0.000	1	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){2|H<1>,5|C<4>}	123.8300	0.000	1	123.8300	0.000	1	124.2063	3.352	3	123.9853	2.430	4	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|H<1>,2|O<2>,5|C<4>}	122.5930	0.000	1	122.5930	0.000	1	124.2063	3.352	3	123.9853	2.430	4	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|H<1>,2|O<2>,5|C<4>}	126.1960	0.000	1	126.1960	0.000	1	124.2063	3.352	3	123.9853	2.430	4	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[5,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,6,6]O)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,6,6]O)(H){2|H<1>,6|C<4>}	123.3220	0.000	1	123.3220	0.000	1	123.3220	0.000	1	123.9853	2.430	4	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	119.1210	0.000	1	119.2163	0.006	4	119.8842	2.235	5	120.8708	7.629	6	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	119.2480	0.051	3	119.2163	0.006	4	119.8842	2.235	5	120.8708	7.629	6	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	122.5560	0.000	1	122.5560	0.000	1	119.8842	2.235	5	120.8708	7.629	6	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[5,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	125.8040	0.000	1	125.8040	0.000	1	125.8040	0.000	1	120.8708	7.629	6	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	121.4320	0.000	1	121.5102	0.170	5	121.5102	0.170	5	121.5102	0.170	5	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|H<1>,2|O<2>,5|C<4>}	121.8170	0.529	2	121.5102	0.170	5	121.5102	0.170	5	121.5102	0.170	5	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|O<2>,2|H<1>,5|C<4>}	121.2425	0.252	2	121.5102	0.170	5	121.5102	0.170	5	121.5102	0.170	5	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:2:	3:4:1:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]H){1|O<2>,5|H<1>,8|C<4>}	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	119.7470	0.000	1	119.7470	0.000	1	119.7470	0.000	1	119.7470	0.000	1	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	121.8020	0.000	1	121.8020	0.000	1	121.8020	0.000	1	121.8020	0.000	1	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){6|C<4>,8|H<1>}	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CH3){2|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	122.4660	0.000	1	122.4660	0.000	1	121.9875	0.458	2	122.3356	0.580	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	121.5090	0.000	1	121.5090	0.000	1	121.9875	0.458	2	122.3356	0.580	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	120.6080	0.000	1	122.3581	0.658	12	122.3892	0.615	13	122.3356	0.580	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	123.0190	0.000	1	122.3581	0.658	12	122.3892	0.615	13	122.3356	0.580	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	123.4175	0.272	2	122.3581	0.658	12	122.3892	0.615	13	122.3356	0.580	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	122.2294	0.428	8	122.3581	0.658	12	122.3892	0.615	13	122.3356	0.580	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	122.7620	0.000	1	122.7620	0.000	1	122.3892	0.615	13	122.3356	0.580	15	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	124.9480	0.000	1	123.9070	2.167	2	123.9070	2.167	2	123.9070	2.167	2	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	122.8660	0.000	1	123.9070	2.167	2	123.9070	2.167	2	123.9070	2.167	2	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	4:3:4:2:	3:4:1:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH)	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	122.3623	0.660	4	122.3623	0.435	4	122.6335	0.444	6	122.6335	0.444	6	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	4:3:4:2:	3:4:1:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	123.3060	0.000	1	123.1760	0.034	2	122.6335	0.444	6	122.6335	0.444	6	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	4:3:4:2:	3:4:1:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	123.0460	0.000	1	123.1760	0.034	2	122.6335	0.444	6	122.6335	0.444	6	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[3,5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	120.9700	0.000	1	120.9700	0.000	1	122.3745	3.945	2	122.3745	3.945	2	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[3,5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<2>,6|C<4>,6|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	123.7790	0.000	1	123.7790	0.000	1	122.3745	3.945	2	122.3745	3.945	2	121.1393	10.224	118	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6,6]	C[5]	C[6,6]	4:3:4:	3:4:4:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:C[5]-4:C[5]-4:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[5]C[5]2C)	C[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5])(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[5]C[5]2C){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5])(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	127.2790	0.000	1	127.2790	0.000	1	127.2790	0.000	1	127.2790	0.000	1	127.2790	0.000	1	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6a]-3:N[5,5a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H){3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){10|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	122.2930	0.000	1	122.2930	0.000	1	122.2930	0.000	1	122.2930	0.000	1	120.2921	14.648	11	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:2:1:	4:3:3:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H){2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H){2|O<2>,4|C<4>,5|H<1>}	116.9095	0.411	2	116.9095	0.169	2	116.9095	0.169	2	116.9095	0.169	2	120.2921	14.648	11	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C){1|H<1>,3|C<4>,6|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H){1|O<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2{2|C<4>,3|H<1>,4|C<3>}	116.5490	0.921	2	116.5490	0.848	2	116.5490	0.848	2	116.5490	0.848	2	120.2921	14.648	11	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(C[6]N[6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C[6])(N[6]C[6])(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(C[6]N[6]H){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6])(N[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	123.3350	0.000	1	123.3350	0.000	1	123.3350	0.000	1	123.3350	0.000	1	120.2921	14.648	11	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(C[6]N[6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(C[6]N[6]H){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<4>,2|H<1>}	120.2680	0.000	1	120.2680	0.000	1	120.2680	0.000	1	123.3740	19.294	2	120.2921	14.648	11	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:N[6]-3:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H)	C[6](C[6]C[5,6]N[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[6]C[5,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	126.4800	0.000	1	126.4800	0.000	1	126.4800	0.000	1	123.3740	19.294	2	120.2921	14.648	11	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	124.2590	0.000	1	124.2590	0.000	1	124.2590	0.000	1	120.2130	32.740	2	120.2921	14.648	11	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(O){1|C<3>,3|C<4>,3|H<1>}	116.1670	0.000	1	116.1670	0.000	1	116.1670	0.000	1	120.2130	32.740	2	120.2921	14.648	11	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-4:C[6]-3:	C[3,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(H)	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	120.2921	14.648	11	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:2:	2:2:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-2:	O[5]-2:O[5]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6])	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>}	119.8360	0.000	1	119.8360	0.000	1	119.8360	0.000	1	119.8360	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:2:	3:3:3:3:	3:3:1:	C[5]-4:C[6]-3:C[6]-2:	C[6a]-3:C[5]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)(C[6]C[6])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(C[6]C[6]2)(N[5]S[5]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)(C[6]C[6]){1|N<3>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(C[6]C[6]2)(N[5]S[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Br<1>,1|N<3>,3|C<3>}	119.1180	0.000	1	119.1180	0.000	1	119.1180	0.000	1	119.1180	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:2:	4:3:3:2:	3:3:1:	C[5]-4:C[6]-3:C[6]-2:	C[5,5]-4:C[6a]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,5]C[6a]O[5])(C[6]C[6]H)(C[6]C[6])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5])	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,5]C[6a]O[5])(C[6]C[6]H)(C[6]C[6]){1|N<4>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,6|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:O[5]-2:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(O[5]C[5])2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[6]C[6]N[6])(O[5]C[5])2(H){1|Re<6>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,2|H<1>,2|O<2>}	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:2:3:1:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:O[5]-2:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	119.3260	0.249	2	119.3260	0.062	2	119.3260	0.062	2	119.3260	0.062	2	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:2:3:1:	3:4:2:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:O[5]-2:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	120.7325	0.135	2	120.7325	0.018	2	120.7325	0.018	2	120.7325	0.018	2	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:O[5]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(O[5]C[5]Re)(O[5]C[5])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[6]C[6]N[6])(O[5]C[5]Re)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	118.4810	0.000	1	118.4810	0.000	1	118.4810	0.000	1	118.4810	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:2:1:	4:3:3:	C[5]-4:C[6]-3:N[6]-3:	C[6]-3:N[5]-3:S[5]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]H)(S[5]C[5])(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO)	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[6]C[6]N[6])(N[5]C[5]H)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO){1|N<3>,2|H<1>,2|S<2>,3|C<3>}	127.2430	0.000	1	127.2430	0.000	1	127.2430	0.000	1	127.2430	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	N[5]-3:C[6]-3:S[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]S[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(S[5]C[5]Pd)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(S[5]C[5]Pd)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|N<3>,1|S<3>,2|H<1>}	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:1:	3:4:3:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-4:N-3:	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	123.4170	0.000	1	123.4170	0.000	1	123.4170	0.000	1	123.4170	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[5,6a]-3:C[6]-3:C[5]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5]O)(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)(OIr)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5]O)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)(OIr){2|H<1>,5|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|O<2>,3|C<3>}	123.3850	0.000	1	123.3850	0.000	1	123.3850	0.000	1	122.1280	1.050	29	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Co<6>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.6321	0.456	16	121.6321	0.208	16	121.8955	0.570	26	122.1280	1.050	29	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Fe<6>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.7997	0.319	6	122.7997	0.102	6	121.8955	0.570	26	122.1280	1.050	29	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Ni<6>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.5930	1.190	4	121.5930	1.416	4	121.8955	0.570	26	122.1280	1.050	29	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-3:C[5]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5]O)(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]C[5]C)(OO)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]O)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]C[5]C)(OO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.5215	0.829	2	124.5215	0.688	2	124.5215	0.688	2	122.1280	1.050	29	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.5690	0.000	1	121.5690	0.000	1	121.5690	0.000	1	119.3947	3.978	3	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	117.6500	0.000	1	117.6500	0.000	1	118.3075	0.865	2	119.3947	3.978	3	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	118.9650	0.000	1	118.9650	0.000	1	118.3075	0.865	2	119.3947	3.978	3	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:4:2:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[6]-3:C[6]-4:O-2:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OS)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OS){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:3:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:N[5a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2){1|C<2>,1|N<2>,4|C<3>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:N[5a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2){1|C<2>,1|N<2>,4|C<3>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<2>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	118.7322	3.700	4	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]2C[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])2	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]2C[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<3>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])2{1|Pt<4>,4|H<1>,8|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,4|C<3>}	117.0695	0.190	2	117.0695	0.036	2	117.0695	0.036	2	118.7322	3.700	4	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]2C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]2C[6a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2){1|Pd<4>,4|H<1>,8|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,4|C<3>}	120.4510	0.000	1	120.4510	0.000	1	120.4510	0.000	1	118.7322	3.700	4	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2){1|O<1>,2|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	114.8180	0.907	2	114.8180	0.822	2	114.8180	0.822	2	114.8180	0.822	2	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:3:	3:4:3:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:N-3:	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2){1|O<1>,2|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|O<1>,3|C<3>,3|C<4>}	125.7210	0.021	2	125.7210	0.000	2	125.7210	0.000	2	125.7210	0.000	2	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<2>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,1|H<1>,6|C<3>}	115.8040	0.000	1	116.3043	0.266	3	116.3043	0.266	3	120.9942	12.586	9	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<2>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	116.5545	0.397	2	116.3043	0.266	3	116.3043	0.266	3	120.9942	12.586	9	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH)	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(H)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<2>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,4|C<3>}	123.7603	0.202	3	123.7603	0.041	3	123.7603	0.041	3	120.9942	12.586	9	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[5,6a]-3:C[6]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5]C)(N[6]C[6]Pt)(C[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)(CC3)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5]C)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt)(CC3){2|H<1>,5|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	123.0490	0.000	1	123.0490	0.000	1	123.0490	0.000	1	120.9942	12.586	9	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5]C)(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]O)(CH3)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]C)(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]O)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.8525	0.042	2	122.8525	0.002	2	122.8525	0.002	2	120.9942	12.586	9	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	N[5]-3:C[6]-3:N[5]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2H)(N[6]C[6]Cd)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]CdC)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Cd)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]CdC)(H){4|C<3>,5|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	120.1670	0.000	1	120.1670	0.000	1	120.7215	0.615	2	120.7215	0.615	2	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	N[5]-3:C[6]-3:N[5]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2H)(N[6]C[6]Zn)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]ZnC)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Zn)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]ZnC)(H){4|C<3>,5|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	121.2760	0.000	1	121.2760	0.000	1	120.7215	0.615	2	120.7215	0.615	2	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[6]C[6]N[6])2(C[5]C[5]HH)2	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[6]C[6]N[6])2(C[5]C[5]HH)2{1|Ru<6>,4|C<3>,6|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,2|C<3>,2|C<4>}	121.5920	0.000	1	121.0525	0.582	2	121.0525	0.582	2	121.0525	0.582	2	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[6]C[6]N[6])2(C[5]C[5]HH)2	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[6]C[6]N[6])2(C[5]C[5]HH)2{1|Ru<6>,4|C<3>,6|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,2|C<3>,2|C<4>}	120.5130	0.000	1	121.0525	0.582	2	121.0525	0.582	2	121.0525	0.582	2	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Co)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]CoH)(O[5]C[5])(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Co)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]CoH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Co<6>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	124.3360	0.000	1	124.3360	0.000	1	122.1855	2.839	11	122.1855	2.839	11	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Ni)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Ni)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Ni<6>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	124.7390	0.000	1	124.7390	0.000	1	122.1855	2.839	11	122.1855	2.839	11	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Zn)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]ZnH)(O[5]C[5])(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Zn)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]ZnH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Zn<5>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	123.3740	0.000	1	123.3740	0.000	1	122.1855	2.839	11	122.1855	2.839	11	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cd)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(O[5]C[5])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cd)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(O[5]C[5])(H){2|C<3>,5|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	121.0070	0.000	1	121.0070	0.000	1	122.1855	2.839	11	122.1855	2.839	11	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]CuH)(O[5]C[5])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[6]C[6]N[6])(N[5]C[5]CuH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	123.9530	0.000	1	123.9530	0.000	1	122.1855	2.839	11	122.1855	2.839	11	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]O[5]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	121.4650	0.000	1	121.4650	0.000	1	122.1855	2.839	11	122.1855	2.839	11	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]PdC)(O[5]C[5])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[6]C[6]N[6])(N[5]C[5]PdC)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	120.7695	1.848	2	120.7695	3.414	2	122.1855	2.839	11	122.1855	2.839	11	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]PdH)(O[5]C[5])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]PdH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	121.7720	0.000	1	121.7720	0.000	1	122.1855	2.839	11	122.1855	2.839	11	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]O[5]H)(N[6]C[6]Zn)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]ZnC)(O[5]C[5])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[6]C[6]N[6])(N[5]C[5]ZnC)(O[5]C[5])(H){2|C<3>,5|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	120.9280	0.218	2	120.9280	0.047	2	122.1855	2.839	11	122.1855	2.839	11	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[5]C[5,6a]N[5]H)(C[6]N[6]O)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[5]C[5,6a]N[5]H)(C[6]N[6]O)2{4|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|N<4>,2|O<1>}	118.8970	4.579	2	118.8970	20.969	2	118.8970	20.969	2	121.3253	5.307	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])(H){3|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	120.8440	0.000	1	120.8440	0.000	1	121.2070	0.264	2	121.3253	5.307	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	121.5700	0.000	1	121.5700	0.000	1	121.2070	0.264	2	121.3253	5.307	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2H)(N[6]C[6]Cd)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(N[5]C[5]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Cd)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	122.6470	0.000	1	122.6470	0.000	1	122.1742	2.076	6	121.3253	5.307	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2H)(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]CuC)(N[5]C[5]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]CuC)(N[5]C[5]H)(H){2|C<3>,5|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	123.4395	0.729	2	123.4395	0.531	2	122.1742	2.076	6	121.3253	5.307	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]FeC)(N[5]C[5]C)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[6]C[6]N[6])(N[5]C[5]FeC)(N[5]C[5]C)(H){3|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	122.0150	0.000	1	122.0150	0.000	1	122.1742	2.076	6	121.3253	5.307	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2H)(N[6]C[6]Mn)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]MnC)(N[5]C[5]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]MnC)(N[5]C[5]H)(H){2|C<3>,5|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	120.7520	1.534	2	120.7520	2.354	2	122.1742	2.076	6	121.3253	5.307	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,5a]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H){1|O<1>,2|C<4>,2|N<3>,6|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	116.5060	0.000	1	116.5060	0.000	1	116.5060	0.000	1	118.0410	13.208	3	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]O)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]O)2{3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<4>,1|O<1>,3|H<1>}	118.8085	4.784	2	118.8085	22.883	2	118.8085	22.883	2	118.0410	13.208	3	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:4:3:	C[5]-4:C[6]-3:C[6]-3:	C[5,5a]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:N-3:	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H){1|O<1>,2|C<4>,2|N<3>,6|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	124.3020	0.000	1	124.3020	0.000	1	124.3020	0.000	1	124.3020	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6]-3:N[6]-3:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]C[5]CH)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[6]C[6]N[6])(C[5]C[5]CH)2(H){2|C<3>,6|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	124.3270	0.000	1	124.3270	0.000	1	124.3270	0.000	1	122.6663	3.574	3	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2H)(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](C[5]C[5]2H)(N[6]C[6]Pt)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(H){1|Pt<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	120.6090	0.000	1	120.6090	0.000	1	120.6090	0.000	1	122.6663	3.574	3	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-4:N[5]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H){3|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,2|H<1>,2|N<4>}	123.0630	0.000	1	123.0630	0.000	1	123.0630	0.000	1	122.6663	3.574	3	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:4:3:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[5]-4:C[5]-4:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2O)(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(ORu2)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2O)(N[6]C[6]Ru)(C[6]C[6]H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(ORu2){2|C<3>,5|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<4>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	122.9470	0.000	1	123.6440	0.972	2	123.6440	0.972	2	123.6440	0.972	2	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	3:4:4:3:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[5]-4:C[5]-4:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2O)(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(ORu2)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2O)(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(ORu2){2|C<3>,5|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	124.3410	0.000	1	123.6440	0.972	2	123.6440	0.972	2	123.6440	0.972	2	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.0880	0.000	1	116.0880	0.000	1	114.3820	1.577	4	118.4417	13.925	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(O)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.5410	0.000	1	114.5410	0.000	1	114.3820	1.577	4	118.4417	13.925	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	113.4495	0.238	2	113.4495	0.057	2	114.3820	1.577	4	118.4417	13.925	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	N[5,5]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5,5]O[5]H)(N[6]C[6]Fe)(C[6]C[6]H)	C[5](N[5,5]C[5,5]C[5]Fe)(C[6]C[6]N[6])(O[5]C[5])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,5]O[5]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5]Fe)(C[6]C[6]N[6])(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	120.3077	0.774	4	120.3077	0.599	4	120.3077	0.599	4	118.4417	13.925	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	N[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5,6]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6]Cu)(C[6]C[6]N[6])(O[5]C[5,6])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|H<1>,4|C<4>}	C[5](N[5,6]C[5,6]C[6]Cu)(C[6]C[6]N[6])(O[5]C[5,6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	123.3010	0.000	1	123.3010	0.000	1	123.3010	0.000	1	118.4417	13.925	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	N[5]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[5](N[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(O[5]C[5])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(O[5]C[5])(H){4|C<3>,5|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	118.4417	13.925	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6]-3:C[6]-3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	125.8700	0.000	1	125.2092	0.542	4	125.2092	0.542	4	125.2092	0.542	4	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6]-3:C[6]-3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	125.3785	0.367	2	125.2092	0.542	4	125.2092	0.542	4	125.2092	0.542	4	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6]-3:C[6]-3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.2100	0.000	1	125.2092	0.542	4	125.2092	0.542	4	125.2092	0.542	4	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5]C[5]2H)(C[6]O[6]O)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[5]C[5]2H)(C[6]O[6]O)2{1|C<4>,1|H<1>,1|N<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	119.5115	1.408	2	119.5115	1.982	2	119.6405	1.063	10	119.6405	1.063	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5]C[5]2H)(C[6]O[6]O)2	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[5]C[5]2H)(C[6]O[6]O)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	119.9840	0.353	4	119.6727	1.078	8	119.6405	1.063	10	119.6405	1.063	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5]C[5]2H)(C[6]O[6]O)2	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[5]C[5]2H)(C[6]O[6]O)2{1|C<4>,1|H<1>,1|N<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	119.3615	1.460	4	119.6727	1.078	8	119.6405	1.063	10	119.6405	1.063	10	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[5]C[5]2H)(C[6]N[6]O)2	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[5]C[5]2H)(C[6]N[6]O)2{1|H<1>,1|N<4>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H){2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	119.1968	0.750	6	119.1968	0.562	6	119.1968	0.562	6	120.5424	4.534	14	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|W<6>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,2|N<3>,3|H<1>}	123.0080	0.000	1	122.9140	2.822	3	122.9140	2.822	3	120.5424	4.534	14	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,2|N<3>,3|H<1>}	122.8670	2.373	2	122.9140	2.822	3	122.9140	2.822	3	120.5424	4.534	14	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]Cu)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]Cu)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9550	1.607	2	119.9550	2.581	2	119.5800	1.712	3	120.5424	4.534	14	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]W)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|W<6>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]W)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.8300	0.000	1	118.8300	0.000	1	119.5800	1.712	3	120.5424	4.534	14	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(N[6]C[6]Cd)(C[6]C[6]H)	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]H)(H){1|Cd<6>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.6040	0.000	1	124.6040	0.000	1	122.4655	9.146	2	120.5424	4.534	14	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6a]N[5]H)(C[6]C[6]N[6])(N[5]C[5]C)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6]C[6]N[6])(N[5]C[5]C)(H){1|Fe<6>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3270	0.000	1	120.3270	0.000	1	122.4655	9.146	2	120.5424	4.534	14	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[6]-3:N[5]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(N[6]C[6]Cd)(C[6]C[6]H)	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]CdC)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]CdC)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	122.4540	0.000	1	122.4540	0.000	1	121.9457	0.249	3	121.9457	0.249	3	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[6]-3:N[5]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[5](C[5]C[6a]C[5]N)(C[6]C[6]N[6])(N[5]N[5]NiH)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]N)(C[6]C[6]N[6])(N[5]N[5]NiH)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	121.6915	0.332	2	121.6915	0.110	2	121.9457	0.249	3	121.9457	0.249	3	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:3:4:3:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	Si[5]-4:C[6a]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[6a]Si[5]C[5])(C[6]C[6]H)2	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[6a]Si[5]C[5])(C[6]C[6]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2){6|H<1>,8|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.7495	2.073	2	120.7495	4.295	2	120.7495	4.295	2	120.7495	4.295	2	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	124.2480	0.000	1	124.2480	0.000	1	124.2480	0.000	1	121.1850	13.379	6	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	121.1850	13.379	6	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|N<4>,3|H<1>}	123.4655	3.931	2	123.4655	15.451	2	123.4655	15.451	2	121.1850	13.379	6	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[5]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	118.4130	3.459	2	118.4130	11.966	2	118.4130	11.966	2	121.1850	13.379	6	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:3:4:	4:3:2:1:	4:3:4:	C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH)	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	122.3075	0.909	4	122.3075	0.827	4	122.3075	0.827	4	122.3075	0.827	4	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:4:3:	3:3:2:1:	3:4:4:	C[5]-4:C[6]-4:C[6]-3:	C[5,6a]-3:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.9340	0.000	1	121.9340	0.000	1	121.9340	0.000	1	121.9340	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:4:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6]-4:C[6]-3:	N[5a]-3:C[6]-3:N[5]-2:N[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H)	C[5](N[5a]C[5a]2)(C[6]C[6]2)(N[5]C[5])2	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[5](N[5a]C[5a]2)(C[6]C[6]2)(N[5]C[5])2{1|C<4>,1|N<2>,2|H<1>,7|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	118.5430	0.000	1	118.5430	0.000	1	118.5430	0.000	1	118.5430	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[6,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[5]-4:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[5]C[5]O[5]H)(C[6]C[6]H)	C[5](C[6]C[6,6]C[6])(C[5]O[5]CC)(O[5]C[5])(H)	C[6](C[6]C[6,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5]C[5]O[5]H)(C[6]C[6]H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5](C[6]C[6,6]C[6])(C[5]O[5]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]C[5])(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	119.7100	0.000	1	119.7100	0.000	1	119.7100	0.000	1	119.7100	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[3x6]-4:C[5]-4:C[6]-3:	C[6]-3:C[5]-4:C[5]-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[5]C[5]2C)(C[6]C[6]H)	C[5](C[6]C[3x6]C[6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	C[6](C[6]C[3x6]C[5])(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[5]C[5]2C)(C[6]C[6]H){1|O<1>,2|C<3>,4|H<1>,6|C<4>}	C[5](C[6]C[3x6]C[6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[3x6]C[5])(C[6]C[6]O)(H){1|H<1>,1|O<2>,6|C<4>}	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C[5]-4:C[6]-3:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H)	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.5120	0.000	1	119.5120	0.000	1	119.5120	0.000	1	119.5120	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:4:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C)	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(C[6]C[6]2)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH){1|C<3>,2|C<4>,5|H<1>}	126.3470	0.000	2	126.3470	0.000	2	126.3470	0.000	2	126.3470	0.000	2	121.0644	7.280	159	121.1505	8.822	301
762	474	762	0:SP2_SP2_SP3	C[6]	C[5]	C[6]	4:4:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(C[6]C[6]2)(H){1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	121.4090	0.000	1	121.4090	0.000	1	121.4090	0.000	1	121.4090	0.000	1	121.0644	7.280	159	121.1505	8.822	301
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,3x6]	C[3x6]	4:3:3:	3:3:3:4:	4:3:2:	C[5,3x6]-4:C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[3x6]-3:C[5]-4:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6])	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<2>,4|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	112.0950	0.000	1	112.0950	0.000	1	112.0950	0.000	1	112.0950	0.000	1	112.0950	0.000	1	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,3x6]	C[6]	4:4:3:	3:3:4:4:	3:3:1:	C[5,3x6]-4:C[6,6]-4:C[6]-3:	C[5,6,6a]-3:C[3x6]-3:C[5,6]-4:C[6]-4:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[3x6]C[5,3x6]C[6,6])(C[6]C[6]H)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	120.6950	0.000	1	120.6950	0.000	1	120.6950	0.000	1	120.6950	0.000	1	120.6950	0.000	1	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,4x6]	C[6,6]	4:3:3:	4:4:3:2:	3:4:1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	115.3060	0.000	1	115.3060	0.000	1	115.5327	0.144	4	115.5327	0.144	4	115.5327	0.144	4	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,4x6]	C[6,6]	4:3:3:	4:4:3:2:	3:4:1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2O)(H)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	115.6330	0.000	1	115.6330	0.000	1	115.5327	0.144	4	115.5327	0.144	4	115.5327	0.144	4	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,4x6]	C[6,6]	4:3:3:	4:4:3:2:	3:4:1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6]O)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){2|O<1>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	115.1710	0.000	1	115.1710	0.000	1	115.5327	0.144	4	115.5327	0.144	4	115.5327	0.144	4	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,4x6]	C[6,6]	4:3:3:	4:4:3:2:	3:4:1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]O[6]O)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	116.0210	0.000	1	116.0210	0.000	1	115.5327	0.144	4	115.5327	0.144	4	115.5327	0.144	4	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,4x6]	C[6]	4:3:3:	4:4:3:2:	3:2:1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[3x6]-3:O[6]-2:O-1:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]O[6]O)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	C[6](C[3x6]C[5,4x6]C[6,6])(O[6]C[6])(O)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6])(O[6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	120.6420	0.000	1	120.6420	0.000	1	120.6420	0.000	1	120.6420	0.000	1	121.5307	0.379	4	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,4x6]	C[6]	4:3:3:	4:4:3:2:	3:3:1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[3x6]-3:C[6,6a]-3:O-1:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	121.7800	0.000	1	121.9155	0.037	2	121.9155	0.037	2	121.9155	0.037	2	121.5307	0.379	4	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,4x6]	C[6]	4:3:3:	4:4:3:2:	3:3:1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[3x6]-3:C[6,6a]-3:O-1:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	122.0510	0.000	1	121.9155	0.037	2	121.9155	0.037	2	121.9155	0.037	2	121.5307	0.379	4	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,4x6]	C[6]	4:3:3:	4:4:3:2:	3:4:1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[3x6]-3:C[6]-4:O-1:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6]O)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	C[6](C[3x6]C[5,4x6]C[6,6])(C[6]C[6]HH)(O)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){2|O<1>,4|C<4>,5|H<1>}	C[6](C[3x6]C[5,4x6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	121.6500	0.000	1	121.6500	0.000	1	121.6500	0.000	1	121.6500	0.000	1	121.5307	0.379	4	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,6,6]	C[3x6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2){5|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2){5|C<4>,7|C<3>}	117.7390	0.000	1	117.7390	0.000	1	117.7390	0.000	1	117.7390	0.000	1	119.6260	7.122	2	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,6,6]	C[3x6]	4:3:4:	3:3:4:4:	3:3:4:	C[5,6,6]-4:C[3x6]-3:C[3x6]-4:	C[5,6,6]-3:C[3x6]-3:C[6]-4:C[5]-4:	C[3x6]-3:C[5a,6]-3:C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3x6]C[5a,6]C[3x6])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH)	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3x6]C[5a,6]C[3x6])(C[3x6]C[6,6]2H){1|Cl<1>,1|C<3>,1|S<2>,5|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	121.5130	0.000	1	121.5130	0.000	1	121.5130	0.000	1	121.5130	0.000	1	119.6260	7.122	2	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,6,6]	C[6,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[3x6]-3:	C[3x6]-3:N[6]-3:C[6]-3:	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6]){1|H<1>,1|N<3>,2|O<1>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2){10|C<3>,1|H<1>,1|N<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O){7|C<3>}	118.9520	0.000	1	118.9520	0.000	1	118.9520	0.000	1	120.8370	7.106	2	119.9637	5.841	3	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,6,6]	C[6,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[3x6]-3:	C[5,6]-3:C[3x6]-3:C[6]-3:	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6]){1|H<1>,1|N<3>,2|O<1>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2){10|C<3>,1|H<1>,1|N<3>}	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O){1|N<3>,8|C<3>}	122.7220	0.000	1	122.7220	0.000	1	122.7220	0.000	1	120.8370	7.106	2	119.9637	5.841	3	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[3x6]	C[5,6,6]	C[6,6]	4:4:3:	3:3:3:2:	4:3:2:	C[3x6]-4:C[5,6,6]-4:C[6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:O-2:	C[5,6]-4:C[3x6]-3:O[6]-2:	C[3x6](C[3x6]C[3,5,6,6]C[3,3x6]N)(C[5,6,6]C[5,6,6a]2O)(C[6,6]C[5,6]O[6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6]C[3x6]C[6,6])(OO)	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6])	C[3x6](C[3x6]C[3,5,6,6]C[3,3x6]N)(C[5,6,6]C[5,6,6a]2O)(C[6,6]C[5,6]O[6]){3|C<4>,3|O<2>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6]C[3x6]C[6,6])(OO){1|N<4>,1|O<2>,3|C<4>,4|C<3>}	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6]){1|N<4>,2|O<2>,3|C<4>,5|C<3>}	118.2170	0.000	1	118.2170	0.000	1	118.2170	0.000	1	118.2170	0.000	1	119.9637	5.841	3	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[3x6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[5,3x6]H)(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>,3|O<2>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[5,3x6]H)(C[6]O[6]O){1|O<1>,3|C<4>,3|H<1>}	115.5840	0.000	1	115.5840	0.000	1	114.6733	0.678	3	114.6733	0.678	3	114.6733	0.678	3	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[3x6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[5,3x6]H)(C[6]C[6,6a]O)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[5,3x6]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	114.2180	0.334	2	114.2180	0.111	2	114.6733	0.678	3	114.6733	0.678	3	114.6733	0.678	3	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	3:3:3:3:	3:4:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:N[5]-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)2(N[5]C[5]C)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)2(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|N<3>,2|C<3>,3|H<1>}	113.1005	0.317	2	113.1005	0.101	2	113.1005	0.101	2	113.1005	0.101	2	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	3:3:3:3:	4:3:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:Se[5]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|Se<3>,4|C<3>}	111.7680	0.000	1	111.7680	0.000	1	111.7680	0.000	1	111.7680	0.000	1	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	3:3:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(C[5]C[5]CH)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	114.7150	0.031	2	114.7150	0.001	2	114.7150	0.001	2	114.7150	0.001	2	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	3:4:3:3:	4:3:1:	C[5,3x6]-4:C[6,6]-3:Cl-1:	C[5,6,6]-3:C[3x6]-4:C[6,6]-3:C[5]-3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O)	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[6,6]C[5,3x6]Cl)(Cl)	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[6,6]C[5,3x6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	113.4710	0.573	2	113.4710	0.328	2	113.4710	0.328	2	113.4710	0.328	2	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:3:2:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:C[5]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[5,3x6]O[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[6,6](C[5,3x6]C[5,3x6]O[6,6]C[5])(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]H)(H){1|O<2>,2|C<4>,2|H<1>}	111.6105	0.155	6	111.6105	0.024	6	111.6105	0.024	6	111.6105	0.024	6	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:3:3:4:	3:4:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C[5]-4:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H){1|O<1>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.9040	0.412	2	115.9040	0.169	2	115.9040	0.169	2	115.9040	0.169	2	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){3|C<4>,3|O<1>,5|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<4>,3|H<1>}	115.5130	0.288	2	115.3183	0.155	3	115.3183	0.155	3	115.3402	0.102	5	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|N<3>,1|S<4>,2|H<1>,3|C<4>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	114.9290	0.000	1	115.3183	0.155	3	115.3183	0.155	3	115.3402	0.102	5	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H){1|O<1>,2|H<1>,3|C<4>}	115.1570	0.000	1	115.1570	0.000	1	115.3730	0.093	2	115.3402	0.102	5	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<4>,3|H<1>}	115.5890	0.000	1	115.5890	0.000	1	115.3730	0.093	2	115.3402	0.102	5	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:1:	3:4:4:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]C)(H)	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	116.6090	0.000	1	116.6090	0.000	1	116.6090	0.000	1	116.6090	0.000	1	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.3385	1.952	2	114.3385	3.812	2	114.3385	3.812	2	114.2503	1.929	3	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:N[5]-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[5]C[5]C)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|N<3>,2|C<4>,4|H<1>}	114.0740	0.000	1	114.0740	0.000	1	114.0740	0.000	1	114.2503	1.929	3	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:4:	3:4:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|H<1>,1|O<1>,4|C<4>}	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	115.9380	1.107	2	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:4:	3:4:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H){1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H){1|O<2>,3|C<4>,3|H<1>}	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	115.9380	1.107	2	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]CH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|O<2>,3|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]CH){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]H)(H){1|H<1>,1|O<2>,5|C<4>}	114.1640	0.000	1	114.1640	0.000	1	114.7269	0.303	8	114.7269	0.303	8	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]H)(H){1|H<1>,1|O<2>,5|C<4>}	115.9390	0.000	1	115.9390	0.000	1	114.7269	0.303	8	114.7269	0.303	8	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	114.5687	0.114	3	114.6187	0.052	6	114.7269	0.303	8	114.7269	0.303	8	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|H<1>,1|O<2>,5|C<4>}	114.4780	0.052	2	114.6187	0.052	6	114.7269	0.303	8	114.7269	0.303	8	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	115.0500	0.000	1	114.6187	0.052	6	114.7269	0.303	8	114.7269	0.303	8	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:4:3:	3:4:4:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]C)(H)	C[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]C)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3){3|C<4>,4|H<1>}	115.8825	0.194	2	115.8825	0.038	2	115.8825	0.038	2	115.8825	0.038	2	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:2:	4:3:3:4:	3:4:3:	C[5,3x6]-4:C[6,6]-3:C-2:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[6,6]-3:C[3x6]-4:N-3:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[6,6]C[3x6]N)(CN)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH)	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[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|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>}	112.5300	0.000	1	112.5300	0.000	1	112.5300	0.000	1	112.5300	0.000	1	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:2:	4:4:3:1:	4:3:1:	C[5,3x6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]H)(OC)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[5,6,6]C[6,6]C[5]C)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]H)(OC){1|O<2>,3|C<3>,3|C<4>}	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[5,6,6]C[6,6]C[5]C)(C[6,6]C[6,6]O)(Cl){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[5,3x6]O)(H){1|Cl<1>,2|C<4>,2|H<1>,2|O<2>}	114.7380	0.058	2	114.7380	0.003	2	114.7380	0.003	2	114.7380	0.003	2	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:2:	4:4:3:1:	4:3:4:	C[5,3x6]-4:C[6,6]-3:O-2:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]H)(C[6,6]C[5,3x6]C)(OC)	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]O)(C[6,6]C[5,3x6]O)(CH3)	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]H)(C[6,6]C[5,3x6]C)(OC){1|C<3>,3|C<4>,3|O<2>}	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]O)(H){2|C<3>,3|O<2>,5|C<4>}	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]O)(C[6,6]C[5,3x6]O)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:3:	3:3:3:2:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:O[5]-2:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5])	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO){2|C<3>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5]){1|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H){1|O<2>,2|C<3>,3|H<1>}	112.9480	0.000	1	112.9480	0.000	1	112.9480	0.000	1	112.9480	0.000	1	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(CCH)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]H)(CCH)	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]C)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]H)(CCH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[6,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2)	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[5,3x6]C[6a])(C[6a]C[6a]2)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,9|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H){10|C<3>,1|C<4>,1|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[5,3x6]C[6a])(C[6a]C[6a]2){2|C<4>,4|H<1>,7|C<3>}	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:3:3:2:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:O[5]-2:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5])	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){3|C<3>,3|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5]){1|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H){1|O<2>,2|C<3>,3|H<1>}	110.3780	0.000	1	110.3780	0.000	1	110.3780	0.000	1	110.3780	0.000	1	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:4:	4:3:3:2:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:C[6,6]-3:O[5]-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6])	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]C)(H)	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:3:4:	4:4:3:2:	4:3:2:	C[5,3x6]-4:C[6,6]-3:C-4:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-3:O-2:	C[5,3x6]-4:C[6,6]-3:O-2:	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]O)(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]C)(OH)	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]H)(C[6,6]C[5,3x6]C)(OC)	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]O)(C[6,6]C[5,3x6]O)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]C)(OH){1|O<1>,2|C<3>,3|C<4>,4|O<2>}	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]H)(C[6,6]C[5,3x6]C)(OC){1|C<3>,3|C<4>,3|O<2>}	113.1060	0.000	1	113.1060	0.000	1	113.1060	0.000	1	113.1060	0.000	1	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C[6,6]	4:4:3:	4:3:4:3:	3:4:4:	C[5,3x6]-4:C[6]-4:C[6,6]-3:	C[5,3x6]-4:C[6,6]-3:C[6,6]-4:N[5,6]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[6]C[5,6]HH)(C[6,6]C[6]2)	C[5,3x6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[6]C[5,6]HH)(C[6,6]C[6]2){2|C<3>,3|C<4>,4|O<2>,6|H<1>}	C[5,3x6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,3|C<4>,4|H<1>}	120.9230	0.291	6	120.9230	0.085	6	120.9230	0.085	6	120.9230	0.085	6	114.7603	7.752	53	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:1:	3:4:3:3:	3:4:1:	C[5,4x6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H)	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,6|H<1>}	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H){1|C<4>,2|N<3>,4|H<1>}	111.7710	0.000	1	112.0018	0.029	5	112.0018	0.029	5	112.0018	0.029	5	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:1:	3:4:3:3:	3:4:1:	C[5,4x6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H)	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	111.9670	0.000	1	112.0018	0.029	5	112.0018	0.029	5	112.0018	0.029	5	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:1:	3:4:3:3:	3:4:1:	C[5,4x6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H)	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H){2|C<4>,2|N<3>,3|H<1>}	112.2400	0.000	1	112.0018	0.029	5	112.0018	0.029	5	112.0018	0.029	5	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:1:	3:4:3:3:	3:4:1:	C[5,4x6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H)	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	112.0155	0.070	2	112.0018	0.029	5	112.0018	0.029	5	112.0018	0.029	5	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:1:	4:3:3:3:	3:4:1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[3,3x6]-4:N[5,6,6]-3:N[5,6]-3:C[6,6]-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,4x6]C[3,3x6]N[5,6,6]N[5,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H)	C[6,6](C[5,4x6]C[3,3x6]N[5,6,6]N[5,6])(C[6,6]C[3x6]H)(H){2|O<2>,3|C<3>,3|C<4>}	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2O)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	113.2410	0.000	1	113.2410	0.000	1	113.2410	0.000	1	113.2410	0.000	1	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:1:	4:4:3:3:	4:3:1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]H)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H){1|O<1>,3|H<1>,5|C<4>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.6915	0.125	2	115.6915	0.016	2	115.6915	0.016	2	115.2197	0.676	3	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:1:	4:4:3:3:	4:3:1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6a])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,4x6]H)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6a])(C[6,6]C[3x6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,4x6]H)(H){1|C<3>,2|C<4>,2|H<1>}	114.2760	0.000	1	114.2760	0.000	1	114.2760	0.000	1	115.2197	0.676	3	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:1:	4:4:3:3:	4:3:3:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,5x6]-4:P[5,5,3x6]-4:C[6,6]-3:C[6a]-3:	C[5x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6a])(C[6,6]C[5x6]C[6a])(H)	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](C[5x6]C[5,5x6]C[5x6]H)(C[6,6]C[5,4x6]H)(C[6a]C[6a]2)	C[6,6](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6a])(C[6,6]C[5x6]C[6a])(H){1|H<1>,1|O<1>,1|O<2>,1|P<4>,2|C<4>,5|C<3>}	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	C[6,6](C[5x6]C[5,5x6]C[5x6]H)(C[6,6]C[5,4x6]H)(C[6a]C[6a]2){1|P<4>,2|C<4>,3|H<1>,5|C<3>}	118.5355	0.534	4	118.5355	0.285	4	118.5355	0.285	4	118.5355	0.285	4	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:1:	4:4:4:3:	3:4:1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H){1|O<1>,2|H<1>,3|C<4>}	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:1:	4:4:4:3:	3:4:4:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]C)(H)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(CH3)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]C)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(CH3){3|C<4>,4|H<1>}	115.1605	0.375	2	115.1605	0.141	2	115.1605	0.141	2	115.1605	0.141	2	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:1:	4:4:4:3:	4:3:1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]H)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H){2|O<2>,3|H<1>,5|C<4>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	115.9550	0.000	1	115.9550	0.000	1	115.9550	0.000	1	115.9550	0.000	1	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C[6,6]	4:3:3:	3:4:3:3:	3:4:1:	C[5,4x6]-4:C[6,6]-3:C-3:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(COO)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[5,4x6]C)(C[3x6]C[6,6]2O)(H)	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(COO){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]C){1|C<4>,1|O<2>,2|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,4x6]C)(C[3x6]C[6,6]2O)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	114.6892	6.862	19	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,5,6,6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[6,6]-3:H-1:	C[6,6](C[5,5,6,6]C[5,5,6,6]2H)(C[6,6]C[3,6,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]Si)(C[5,5,6,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3,6,6]C[3,5,6,6]2H)(C[6,6]C[5,5,6,6]H)(H)	C[6,6](C[5,5,6,6]C[5,5,6,6]2H)(C[6,6]C[3,6,6]H)(H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]Si)(C[5,5,6,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]H)(H){2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,5,6,6]2H)(C[6,6]C[5,5,6,6]H)(H){1|Si<4>,2|C<4>,2|H<1>}	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,5,6,6]	C[6]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5,6,6]-4:C[6]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[6,6]-3:	C[6,6]-3:C[6,6a]-3:O-1:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6]C[6]H)	C[5,5,6,6](C[5,5,6]C[6,6a]O[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6,6]C[6]2)	C[6](C[6,6]C[5,5,6,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,5,6,6](C[5,5,6]C[6,6a]O[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[5,5,6,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	116.5010	0.320	2	116.5010	0.102	2	116.5010	0.102	2	120.0670	17.020	4	121.1298	12.923	6	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,5,6,6]	C[6]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5,6,6]-4:C[6]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[6,6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6]C[6]H)	C[5,5,6,6](C[5,5,6]C[6,6a]O[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6,6]C[6]2)	C[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,5,6,6](C[5,5,6]C[6,6a]O[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	123.6330	0.304	2	123.6330	0.092	2	123.6330	0.092	2	120.0670	17.020	4	121.1298	12.923	6	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,5,6,6]	C[6]	4:3:3:	4:4:3:4:	3:4:1:	C[5,5,6,6]-4:C[6]-3:N[6]-3:	C[5,5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[6]C[6,6]H)(N[6]C[6]C)	C[5,5,6,6](C[5,5,3x6]C[5,3x6]N[5,6]C[6])(C[5,5,6]C[5,6]2H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[5,5,6,6]N[6])(C[6,6]C[5,3x6]C[6]H)(H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[6]C[6,6]H)(N[6]C[6]C){1|N<3>,6|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,3x6]N[5,6]C[6])(C[5,5,6]C[5,6]2H)(C[6,6]C[6]N[6])(C[6]C[6]HH){10|H<1>,1|C<3>,4|C<4>}	C[6](C[6,6]C[5,5,6,6]N[6])(C[6,6]C[5,3x6]C[6]H)(H){1|C<3>,3|H<1>,6|C<4>}	123.2555	0.009	2	123.2555	0.000	2	123.2555	0.000	2	123.2555	0.000	2	121.1298	12.923	6	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,5,6]	C[6,6]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-3:N[5]-3:N[5]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[5,5,6]C[5,5,6]N[5]2)(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[5,5,6](C[5,5,6]C[6,6]N[5]2)(C[6,6]C[6,6]C[6])(N[5]C[5]H)2	C[6,6](C[6,6]C[5,5,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Co)	C[6,6](C[5,5,6]C[5,5,6]N[5]2)(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Co<7>,3|H<1>,3|N<3>,4|C<3>}	C[5,5,6](C[5,5,6]C[6,6]N[5]2)(C[6,6]C[6,6]C[6])(N[5]C[5]H)2{1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Co){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	119.9968	0.319	4	119.9968	0.102	4	119.9968	0.102	4	119.9968	0.102	4	119.9640	0.065	6	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,5,6]	C[6,6]	4:3:3:	4:4:3:1:	3:2:4:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH)	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,5|C<4>}	119.8440	0.000	1	119.8440	0.000	1	119.8985	0.006	2	119.8985	0.006	2	119.9640	0.065	6	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,5,6]	C[6,6]	4:3:3:	4:4:3:1:	3:2:4:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH)	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	119.9530	0.000	1	119.9530	0.000	1	119.8985	0.006	2	119.8985	0.006	2	119.9640	0.065	6	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[3,6,6]-4:C[6,6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	115.3510	0.000	1	115.3510	0.000	1	115.3445	0.000	2	115.3445	0.000	2	117.7037	6.948	7	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[3,6,6]-4:C[6,6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	115.3380	0.000	1	115.3380	0.000	1	115.3445	0.000	2	115.3445	0.000	2	117.7037	6.948	7	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[6,6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	115.6120	0.000	1	115.6120	0.000	1	115.6120	0.000	1	115.6120	0.000	1	117.7037	6.948	7	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:4:	C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[3,6,6]-4:C[6,6]-3:C-4:	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[3,6,6]C)(H)	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3)	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[3,6,6]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3){1|H<1>,4|C<4>}	117.2130	0.000	1	117.2130	0.000	1	117.2130	0.000	1	117.2130	0.000	1	117.7037	6.948	7	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6]	4:3:4:	3:4:3:4:	3:4:4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.9500	0.000	1	121.9500	0.000	1	121.9500	0.000	1	121.9500	0.000	1	117.7037	6.948	7	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6]	4:3:4:	4:3:4:4:	3:4:4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)	C[5,6,6](C[5,5,6,6]C[5,6]2N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	C[6,6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6])(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]2N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1	117.7037	6.948	7	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6,6]	4:4:3:	4:4:3:4:	3:4:2:	C[6,6]-4:C[5,6,6]-4:C[6,6]-3:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6,6]-4:O[6]-2:	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]2C)(C[6,6]C[6,6]O[6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[6,6]C[6]O[6]H)(O[6]C[6])	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]2C)(C[6,6]C[6,6]O[6]){1|C<3>,4|H<1>,4|O<2>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[6,6]C[6]O[6]H)(O[6]C[6]){1|C<3>,4|H<1>,6|C<4>}	117.9580	0.000	1	117.9580	0.000	1	117.9580	0.000	1	117.9580	0.000	1	117.7037	6.948	7	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	3:4:3:	4:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[5,6]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6,6]C[5,6]2C[6a])(C[6]C[5,6]C[6a])	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6,6]C[5,6]2C[6a])(C[6]C[5,6]C[6a]){12|C<3>,1|H<1>}	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2){11|C<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	123.3480	0.352	2	123.3480	0.124	2	123.3480	0.124	2	123.3480	0.124	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:2:	4:3:4:2:	3:3:1:	C[5,6,6]-4:C[6]-3:O[6]-2:	C[5,6]-4:C[6,6]-3:C[6]-4:O[5]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]H)(O[6]C[6])	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6]O[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[6,6]C[5,6,6]O[6])(C[6]O[6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6]O[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]O[6])(C[6]O[6]O)(H){1|O<2>,3|C<4>}	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	2:3:4:4:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])2(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	113.0990	0.000	1	113.0990	0.000	1	116.0790	6.660	3	118.4120	26.212	4	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	2:3:4:4:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]O)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]O){1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])2(H){1|H<1>,1|O<1>,1|O<2>,6|C<4>}	117.5690	0.000	2	117.5690	0.000	2	116.0790	6.660	3	118.4120	26.212	4	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	2:3:4:4:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.4110	0.000	1	125.4110	0.000	1	125.4110	0.000	1	118.4120	26.212	4	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	2:3:4:4:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]O)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]O){1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.7390	0.000	2	119.7390	0.000	2	119.7390	0.000	2	119.7390	0.000	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]O)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,4|C<3>}	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6,6a]2C)(C[6]C[6]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a])2(C[6,6]C[6]2)(CCHH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]H)(H)	C[6,6](C[5,6,6]C[5,6,6a]2C)(C[6]C[6]H)2{2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a])2(C[6,6]C[6]2)(CCHH){2|H<1>,6|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	116.0580	1.560	2	116.0580	2.433	2	116.0580	2.433	2	116.0580	2.433	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	3:3:4:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	N[5,5a,6]-3:C[6,6]-3:C[5,6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3){1|O<2>,2|C<4>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	119.4670	0.000	1	119.4670	0.000	1	119.4670	0.000	1	119.4670	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2)(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	117.0900	0.000	1	117.0900	0.000	1	117.0900	0.000	1	117.0900	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6,6]-4:C[6]-3:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(OH)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2)(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<2>,2|B<3>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){2|C<4>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	121.4790	0.000	1	121.7163	0.393	3	121.7163	0.393	3	121.7163	0.393	3	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	121.2430	0.000	1	121.7163	0.393	3	121.7163	0.393	3	121.7163	0.393	3	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	122.4270	0.000	1	121.7163	0.393	3	121.7163	0.393	3	121.7163	0.393	3	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:2:3:4:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6])2(H){1|H<1>,1|O<1>,1|O<2>,6|C<4>}	113.4810	0.000	2	113.3293	0.069	3	113.3293	0.069	3	113.3293	0.069	3	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:2:3:4:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H){5|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6])2(H){2|H<1>,2|O<2>,6|C<4>}	113.0260	0.000	1	113.3293	0.069	3	113.3293	0.069	3	113.3293	0.069	3	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:2:3:4:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	122.8700	0.000	2	122.6357	0.165	3	122.8430	0.282	4	122.8430	0.282	4	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:2:3:4:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H){5|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	122.1670	0.000	1	122.6357	0.165	3	122.8430	0.282	4	122.8430	0.282	4	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:2:3:4:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]O)(C[6]C[6]H){5|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	123.4650	0.000	1	123.4650	0.000	1	122.8430	0.282	4	122.8430	0.282	4	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:2:3:4:	4:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]C[6])(O)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]O)(C[6]C[6]H){5|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]C[6])(O){2|H<1>,2|O<2>,6|C<4>}	116.4350	0.000	1	116.4350	0.000	1	116.4350	0.000	1	116.4350	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	116.3450	14.786	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6,6]C[6]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.0640	0.000	1	119.0640	0.000	1	119.0640	0.000	1	116.3450	14.786	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6,6]C[6]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|C<4>,4|C<3>,4|H<1>}	114.6200	0.000	1	114.6200	0.000	1	114.6200	0.000	1	114.6200	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	123.1150	0.000	1	123.1150	0.000	1	123.1150	0.000	1	123.1150	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:2:	3:3:3:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[6,6]-3:C[6]-3:C-3:	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O)	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6])	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(CCO)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(CCO){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:2:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O)	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6])	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.2510	0.000	1	121.2510	0.000	1	121.2510	0.000	1	121.2510	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|C<4>,9|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){2|H<1>,5|C<4>}	116.2740	0.000	1	116.2740	0.000	1	116.2740	0.000	1	116.2740	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[5,6,6]-4:C[6]-3:N[6]-3:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]H)(N[6]C[6]C)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]N[6])(C[6]C[6]CH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]H)(N[6]C[6]C){2|C<3>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]N[6])(C[6]C[6]CH)(H){2|H<1>,5|C<4>}	123.9730	0.000	1	123.9730	0.000	1	123.9730	0.000	1	123.9730	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:4:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|C<4>,9|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH){1|H<1>,2|C<3>,4|C<4>}	120.2920	0.000	1	120.2920	0.000	1	120.2920	0.000	1	120.2920	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|O<1>,2|H<1>,3|C<4>}	116.9710	0.000	1	116.7880	0.067	2	116.7880	0.067	2	116.7880	0.067	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2{2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	116.6050	0.000	1	116.7880	0.067	2	116.7880	0.067	2	116.7880	0.067	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	121.9350	0.000	1	119.3125	13.755	2	119.3125	13.755	2	119.3125	13.755	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2{2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	116.6900	0.000	1	119.3125	13.755	2	119.3125	13.755	2	119.3125	13.755	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:3:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[5,6]O)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[5,6]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,2|C<4>,3|C<3>,3|H<1>,4|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O){2|O<2>,3|C<3>,3|C<4>}	120.7980	0.181	2	120.7980	0.033	2	120.7980	0.033	2	120.7980	0.033	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:3:	4:3:2:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6,6]-3:	C[5,6]-4:C[6,6]-3:O-2:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[5,6]O)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6,6]C[6])(OH)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[5,6]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,2|C<4>,3|C<3>,3|H<1>,4|O<2>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6,6]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	116.6785	0.169	2	116.6785	0.029	2	116.6785	0.029	2	116.6785	0.029	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:4:	3:3:4:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	C[5,6]-4:Si[5,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[5,6,6]Si[5,6]C[5,6]C)(N[5,6]C[5,6]C[5])(C[6]C[6]C)	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH)	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH)	C[6,6](C[5,6,6]Si[5,6]C[5,6]C)(N[5,6]C[5,6]C[5])(C[6]C[6]C){1|Si<4>,1|N<3>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:4:	2:3:4:4:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])2(H){2|H<1>,2|O<2>,6|C<4>}	118.2140	0.000	1	118.2140	0.000	1	118.2140	0.000	1	118.2140	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:4:	4:2:3:4:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6])2(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	117.0490	0.000	1	117.0490	0.000	1	117.0490	0.000	1	117.0490	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:4:	4:3:3:1:	3:3:3:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,8|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,6|H<1>}	122.6570	0.000	1	122.6570	0.000	1	122.6570	0.000	1	122.6570	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:4:	4:4:3:3:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:C[6,6]-3:C[5]-3:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:3:4:	4:4:3:4:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[3,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[3,6]H)(C[6]C[6]CC)	C[5,6,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[5,6,6]C[6])(C[3,6]C[3,6]O[3]C)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[3,6]H)(C[6]C[6]CC){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[3,6]C[3,6]O[3]C)(H){7|C<4>}	118.9760	0.000	1	118.9760	0.000	1	118.9760	0.000	1	118.9760	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	2:3:4:4:	3:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]H)	C[5,6,6](O[5,6]C[5,6])(C[6,6]C[6]2)(C[5]C[5]CH)(C[6]C[6]CH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	C[5,6,6](O[5,6]C[5,6])(C[6,6]C[6]2)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|C<3>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	119.7890	0.000	1	119.7890	0.000	1	119.7890	0.000	1	119.7890	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	3:2:4:2:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){2|H<1>,2|O<2>,4|C<4>}	118.1025	0.415	2	118.1025	0.172	2	117.7583	0.441	3	117.7583	0.441	3	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	3:2:4:2:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]O)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,6|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,3|O<2>,4|C<4>}	117.0700	0.000	1	117.0700	0.000	1	117.7583	0.441	3	117.7583	0.441	3	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:4:	C[5,6,6]-4:C[6]-4:C[6]-3:	N[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C[5,6,6](N[5,6]O[5]O[6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]C){2|C<4>,2|O<2>,8|H<1>}	C[5,6,6](N[5,6]O[5]O[6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3){1|N<3>,2|H<1>,3|C<4>}	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]C[6]H)	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]N[6]H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]N[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]N[6]H)(C[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:	C[6,6]-4:C[5,6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5,6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>}	116.4590	0.173	2	116.4590	0.030	2	116.4590	0.030	2	116.4590	0.030	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:3:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,2|O<1>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,3|C<3>,4|C<4>}	118.7220	0.546	2	118.7220	0.298	2	118.7220	0.298	2	118.7220	0.298	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,2|O<1>,4|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,2|C<3>,5|C<4>}	119.3380	0.000	1	118.5387	0.298	4	118.5150	0.186	6	118.5150	0.186	6	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,5|C<4>,8|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,7|C<4>}	118.2723	0.143	3	118.5387	0.298	4	118.5150	0.186	6	118.5150	0.186	6	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,9|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,6|C<4>}	118.3410	0.000	1	118.3410	0.000	1	118.5150	0.186	6	118.5150	0.186	6	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<4>,2|O<2>,3|C<3>,8|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,6|C<4>}	118.5940	0.000	1	118.5940	0.000	1	118.5150	0.186	6	118.5150	0.186	6	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){11|H<1>,1|C<3>,4|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	118.8640	0.000	1	118.8640	0.000	1	118.9990	0.036	2	118.9990	0.036	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HO)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HO)(H){1|C<3>,1|H<1>,6|C<4>}	119.1340	0.000	1	119.1340	0.000	1	118.9990	0.036	2	118.9990	0.036	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[5,6,6](C[5,6]C[6]N[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[6]N[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	121.2420	0.000	1	121.2420	0.000	1	121.2420	0.000	1	121.2420	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:2:	3:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:O[5]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[5]C[5])	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:3:	3:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	119.8885	0.878	2	119.8885	0.770	2	119.8885	0.770	2	119.8885	0.770	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){3|C<4>,3|O<2>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	123.5500	0.000	1	123.5500	0.000	1	123.5500	0.000	1	123.1555	0.311	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){3|C<4>,3|O<2>,7|H<1>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	122.7610	0.000	1	122.7610	0.000	1	122.7610	0.000	1	123.1555	0.311	2	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	4:4:3:1:	3:2:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(O)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O){1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(O){4|C<4>,4|H<1>}	117.9830	0.000	1	117.9830	0.000	1	117.9830	0.000	1	117.9830	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	4:4:3:2:	3:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H){1|O<2>,2|H<1>,5|C<4>}	121.5260	0.000	1	121.5260	0.000	1	121.5260	0.000	1	121.5260	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[6]	4:4:3:	4:4:3:4:	3:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CC)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(H){1|C<3>,6|C<4>}	118.3240	0.000	1	118.3240	0.000	1	118.3240	0.000	1	118.3240	0.000	1	119.1437	8.330	76	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[3x6]	4:3:2:	3:3:3:2:	4:4:3:	C[5,6]-4:C[3x6]-3:O[6]-2:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:O-2:	C[3x6]-4:C[5,6,6]-4:C[6,6]-3:	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO)	C[3x6](C[3x6]C[3,5,6,6]C[3,3x6]N)(C[5,6,6]C[5,6,6a]2O)(C[6,6]C[5,6]O[6])	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6]){1|N<4>,2|O<2>,3|C<4>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO){4|C<3>,4|C<4>}	C[3x6](C[3x6]C[3,5,6,6]C[3,3x6]N)(C[5,6,6]C[5,6,6a]2O)(C[6,6]C[5,6]O[6]){3|C<4>,3|O<2>,5|C<3>}	126.2030	0.000	1	126.2030	0.000	1	126.2030	0.000	1	126.2030	0.000	1	126.2030	0.000	1	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	3:4:4:	4:3:2:1:	3:4:3:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5a,6]-3:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC)	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6])	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>,7|C<4>}	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	3:4:4:	4:3:2:1:	4:3:4:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6])(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|O<2>,3|C<4>,7|H<1>}	116.8650	0.000	1	116.8650	0.000	1	116.8650	0.000	1	116.8650	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[5,6a]-3:C[6,6a]-3:C[6,6]-3:N[5]-3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6]C[6]O[6])(C[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[5]C[5]N)	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6]C[6]O[6])(C[6]C[6]){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[5]C[5]N){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H){2|N<3>,4|C<3>}	122.1230	0.000	1	122.1230	0.000	1	122.1230	0.000	1	122.1230	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:2:	3:4:2:1:	3:4:2:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6])(O[6]C[6,6])	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6])(O[6]C[6,6]){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(O[6]C[6]){1|O<2>,2|C<4>,5|H<1>}	123.6385	0.289	2	123.6385	0.084	2	123.6385	0.084	2	123.6385	0.084	2	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:2:	3:4:3:2:	3:4:3:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[5]-4:C[6]-3:O[5]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6])	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	124.1170	0.000	1	124.1170	0.000	1	124.1170	0.000	1	124.1170	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:2:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[5,6]-4:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:2:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6])(O[6]C[6])	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]O[6])(CH3)	C[6,6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]O[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]O[6])(CH3){1|O<2>,3|C<3>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]O[6])(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	121.4380	0.000	1	121.4380	0.000	1	121.4380	0.000	1	121.4380	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:2:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6,6]-3:	C[5,6a]-3:C[6,6]-3:O[5,6]-2:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H)	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C)	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	116.4270	0.000	1	116.4270	0.000	1	116.4270	0.000	1	116.4270	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:2:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	124.5890	0.000	1	124.7015	0.025	2	124.7015	0.025	2	124.8303	0.062	3	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:2:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	124.8140	0.000	1	124.7015	0.025	2	124.7015	0.025	2	124.8303	0.062	3	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:2:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[5]-3:C[5]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	125.0880	0.000	1	125.0880	0.000	1	125.0880	0.000	1	124.8303	0.062	3	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(O[6]C[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(O[6]C[6]){1|H<1>,1|O<2>,8|C<3>}	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|O<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	124.2425	0.176	2	124.2425	0.031	2	124.2425	0.031	2	123.6430	0.287	12	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	124.0560	0.000	1	123.9665	0.115	4	123.9665	0.115	4	123.6430	0.287	12	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	124.4090	0.000	1	123.9665	0.115	4	123.9665	0.115	4	123.6430	0.287	12	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	123.7005	0.013	2	123.9665	0.115	4	123.9665	0.115	4	123.6430	0.287	12	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	123.1750	0.354	3	123.1750	0.125	3	123.1750	0.125	3	123.6430	0.287	12	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:N[5a,6]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	123.7330	0.000	1	123.7330	0.000	1	123.7330	0.000	1	123.6430	0.287	12	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	N[5a,6]-3:C[5,6a]-3:C[6,6]-3:C[5]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	123.0535	0.172	2	123.0535	0.030	2	123.0535	0.030	2	123.6430	0.287	12	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	123.4850	0.000	1	123.4850	0.000	1	122.9470	0.412	8	122.9470	0.412	8	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	122.6437	0.998	3	122.9012	0.503	6	122.9470	0.412	8	122.9470	0.412	8	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	123.2830	0.000	1	122.9012	0.503	6	122.9470	0.412	8	122.9470	0.412	8	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	123.3210	0.000	1	122.9012	0.503	6	122.9470	0.412	8	122.9470	0.412	8	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	122.8720	0.000	1	122.9012	0.503	6	122.9470	0.412	8	122.9470	0.412	8	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	122.6840	0.000	1	122.6840	0.000	1	122.9470	0.412	8	122.9470	0.412	8	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	122.3070	0.000	1	122.3070	0.000	1	122.3070	0.000	1	122.3070	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:4:3:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	122.3650	0.000	1	122.3650	0.000	1	122.3650	0.000	1	122.3650	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:3:4:4:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	121.6680	0.000	2	121.6680	0.000	2	121.6680	0.000	2	121.6680	0.000	2	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:4:2:1:	3:4:3:	C[5,6]-4:C[6,6]-3:N[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O)	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	123.6150	0.305	2	123.6150	0.093	2	123.6150	0.093	2	123.6150	0.093	2	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:4:2:2:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	118.4520	0.000	1	117.4520	2.000	2	117.4520	2.000	2	117.4520	2.000	2	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:4:2:2:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	116.4520	0.000	1	117.4520	2.000	2	117.4520	2.000	2	117.4520	2.000	2	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:4:3:1:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]O[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]O[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>,2|O<2>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	121.2250	3.995	3	121.2250	15.959	3	121.2250	15.959	3	121.2250	15.959	3	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:4:3:4:	3:3:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6]-3:C[6]-3:N[6]-2:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(N[6]O[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(N[6]O[6]){2|C<3>,2|C<4>,2|H<1>}	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:4:4:1:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){5|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,7|C<4>}	119.1220	0.000	1	119.1220	0.000	1	121.6833	2.928	4	121.6833	2.928	4	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:4:4:1:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,3|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,7|C<4>}	122.4630	0.059	2	122.4630	0.004	2	121.6833	2.928	4	121.6833	2.928	4	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:4:4:1:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<4>,2|O<1>,2|O<2>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	122.6850	0.000	1	122.6850	0.000	1	121.6833	2.928	4	121.6833	2.928	4	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:4:4:4:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H){6|C<4>,6|H<1>}	115.6350	0.660	2	115.6350	0.436	2	117.9977	16.965	3	117.9977	16.965	3	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	3:4:4:4:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<1>,5|H<1>,6|C<4>}	122.7230	0.000	1	122.7230	0.000	1	117.9977	16.965	3	117.9977	16.965	3	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	4:3:2:1:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	121.5650	0.000	1	121.4983	0.450	3	121.4983	0.450	3	121.4983	0.450	3	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	4:3:2:1:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	122.1330	0.000	1	121.4983	0.450	3	121.4983	0.450	3	121.4983	0.450	3	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	4:3:2:1:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	120.7970	0.000	1	121.4983	0.450	3	121.4983	0.450	3	121.4983	0.450	3	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	4:3:3:1:	4:3:4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O){1|O<1>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	123.8760	0.000	1	123.8760	0.000	1	123.8760	0.000	1	123.8760	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	4:3:3:2:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:N[5]-3:O-2:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6](C[5,6]C[5,6]N[5]O)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H)	C[6,6](C[5,6]C[5,6]N[5]O)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	121.2010	0.000	1	121.2010	0.000	1	121.2010	0.000	1	121.2010	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]O[6])(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6])(O[6]C[6])	C[6,6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]O[6])(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|O<1>,3|C<4>,4|O<2>}	C[6,6](C[5,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	118.6350	0.000	1	118.6350	0.000	1	118.6350	0.000	1	118.6350	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6]-3:S[6]-4:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]S[6])(O[6]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|H<1>,2|N<3>,2|O<1>,3|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>}	124.7700	0.000	1	124.7700	0.000	1	124.7700	0.000	1	124.7700	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6a]-3:C[6,6]-3:C[5]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C)	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[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|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>}	121.9940	0.000	1	121.9940	0.000	1	121.9940	0.000	1	121.9940	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:3:4:1:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	121.4050	0.000	1	121.4050	0.000	1	121.4050	0.000	1	121.4050	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:3:4:2:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6,6a]-3:C[6,6]-3:C[5]-4:O-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC){1|C<4>,2|O<2>,6|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	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[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|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|N<3>,2|C<4>,3|H<1>,4|C<3>}	121.6130	0.000	2	121.6130	0.000	2	121.6130	0.000	2	121.6130	0.000	2	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<4>,3|C<3>,6|H<1>}	121.7470	0.000	1	121.7470	0.000	1	121.7470	0.000	1	121.7470	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:3:1:	3:4:2:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,3|C<4>,6|H<1>}	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:3:4:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]O[5]O)(CH3)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]O[5]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:3:4:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){2|H<1>,2|O<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	118.3100	0.000	1	118.3100	0.000	1	118.3100	0.000	1	118.3100	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:4:1:	4:3:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	120.0960	0.222	2	120.0960	0.049	2	120.0960	0.049	2	120.0960	0.049	2	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:4:3:	3:4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,4|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	122.9240	0.000	1	122.9240	0.000	1	122.9240	0.000	1	122.9240	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:4:3:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	122.5640	0.000	1	122.9403	0.106	3	122.9403	0.106	3	122.9403	0.106	3	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:4:3:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	123.1285	0.006	2	122.9403	0.106	3	122.9403	0.106	3	122.9403	0.106	3	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:4:4:	3:4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	120.6535	1.190	2	120.6535	1.416	2	120.6535	1.416	2	120.6535	1.416	2	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:4:4:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH){6|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){5|C<4>,5|H<1>}	120.2940	0.000	1	120.2940	0.000	1	120.2940	0.000	1	120.2940	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:4:4:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<2>,6|C<4>,6|H<1>}	118.7220	0.000	1	118.7220	0.000	1	118.7220	0.000	1	118.7220	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:4:4:	4:3:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	119.7285	0.313	2	119.6369	0.115	11	119.6369	0.115	11	119.6369	0.115	11	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:4:4:	4:3:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	119.6166	0.359	9	119.6369	0.115	11	119.6369	0.115	11	119.6369	0.115	11	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	4:3:3:1:	3:4:4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[5]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,3|H<1>,5|C<4>}	119.6020	0.000	1	119.6020	0.000	1	119.6020	0.000	1	119.6020	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6a]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]){3|C<4>,4|C<3>,5|H<1>}	121.7170	0.000	1	121.7170	0.000	1	121.7170	0.000	1	121.7170	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	4:3:4:4:	4:3:2:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[5]-4:C-4:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[5,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]CC)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(O[6]C[6])	C[6,6](C[5,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]O[6])(C[6]C[6]CH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]CC)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(O[6]C[6]){2|C<3>,4|H<1>,6|C<4>}	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	4:3:4:4:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O){1|O<1>,2|H<1>,7|C<4>}	123.7780	0.000	1	123.7780	0.000	1	123.7780	0.000	1	121.9405	6.753	2	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:3:4:	4:3:4:4:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,5|C<4>,6|H<1>}	120.1030	0.000	1	120.1030	0.000	1	120.1030	0.000	1	121.9405	6.753	2	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[6,6]	4:4:3:	3:4:3:1:	3:4:2:	C[5,6]-4:C[6]-4:C[6,6]-3:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HO)(O[6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HO)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	121.3507	5.787	95	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[5,3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:P[5,6,6]-3:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H)	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H){1|Si<4>,2|H<1>,2|P<3>,3|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|P<3>}	122.8810	0.000	1	122.8810	0.000	1	122.8810	0.000	1	122.8810	0.000	1	123.0011	5.188	11	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[5,3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Au)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H)	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H){1|Au<2>,1|Si<4>,2|H<1>,2|P<3>,3|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Au)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|P<4>}	122.8980	0.000	1	122.8980	0.000	1	122.5607	0.091	3	122.5607	0.091	3	123.0011	5.188	11	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[5,3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Cu)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H)	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H){1|Cu<3>,1|Si<4>,2|H<1>,2|P<3>,3|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Cu)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|P<4>}	122.3920	0.102	2	122.3920	0.010	2	122.5607	0.091	3	122.5607	0.091	3	123.0011	5.188	11	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6]	4:3:1:	4:3:3:3:	3:3:3:	C[5,3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-3:C[5,6,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,3x6]C[5,3x6]C[5,6,6]2)(C[6]C[6,6a]C[6a])(H)	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,3x6]H)(C[6a]C[6a]2)	C[6](C[5,3x6]C[5,3x6]C[5,6,6]2)(C[6]C[6,6a]C[6a])(H){2|C<4>,8|C<3>}	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H){11|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,3x6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	126.1670	0.000	1	126.1670	0.000	1	126.1670	0.000	1	126.1670	0.000	1	123.0011	5.188	11	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6]	4:3:1:	4:4:2:3:	3:3:4:	C[5,3x6]-4:C[6]-3:O-1:	C[5,3x6]-4:C[5,6]-4:O[6,6]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,3x6]C[5,3x6]C[5,6]O[6,6])(C[6]C[6]C)(O)	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O)	C[6](C[6]C[5,3x6]O)(C[6]C[5,6]H)(CC3)	C[6](C[5,3x6]C[5,3x6]C[5,6]O[6,6])(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,7|C<4>}	C[6](C[6]C[5,3x6]O)(C[6]C[5,6]H)(CC3){2|O<2>,3|C<4>}	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1	123.0011	5.188	11	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,3x6]C[5,3x6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[6]C[5,3x6]H)(C[6]C[5,6]O)(H)	C[6](C[5,3x6]C[5,3x6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,3x6]H)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	121.6200	0.000	1	121.6200	0.000	1	121.6200	0.000	1	121.6200	0.000	1	123.0011	5.188	11	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,3x6]C[5,3x6]C[3x6]N[5])(C[6]C[6]H)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(N[5]C[5]H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]HH)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]N[5])(C[6]C[6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>}	124.2720	0.000	1	124.2720	0.000	1	124.2720	0.000	1	124.2720	0.000	1	123.0011	5.188	11	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[5,3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H)	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]O)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	123.8280	0.000	1	124.5100	0.930	2	124.5100	0.930	2	124.5100	0.930	2	123.0011	5.188	11	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[5,3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H)	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]O)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]O)(H){5|C<4>}	125.1920	0.000	1	124.5100	0.930	2	124.5100	0.930	2	124.5100	0.930	2	123.0011	5.188	11	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,3x6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[5,3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H)	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]HO)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]HO)(H){1|C<3>,1|H<1>,3|C<4>}	123.9520	0.000	1	123.9520	0.000	1	123.9520	0.000	1	123.9520	0.000	1	123.0011	5.188	11	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6,6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6]C[6]H)(H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H){4|C<3>,4|H<1>}	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	119.9756	7.790	5	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6,6]	C[6]	4:3:1:	4:2:2:3:	3:4:4:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H){2|H<1>,5|C<4>}	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H){3|H<1>,6|C<4>}	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	122.6500	0.000	1	122.6500	0.000	1	122.2505	0.319	2	122.2505	0.319	2	119.9756	7.790	5	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6,6]	C[6]	4:3:1:	4:2:2:3:	3:4:4:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CHHO)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H){2|H<1>,5|C<4>}	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H){3|H<1>,6|C<4>}	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CHHO){1|C<4>,2|H<1>,2|O<2>}	121.8510	0.000	1	121.8510	0.000	1	122.2505	0.319	2	122.2505	0.319	2	119.9756	7.790	5	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6,6]	C[6]	4:3:1:	4:3:2:3:	3:3:1:	C[5,5,6,6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]O[5,5])(C[6]C[6]H)(H)	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]H)(H)	C[6](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]O[5,5])(C[6]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H){5|C<3>,5|H<1>}	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	115.4780	0.000	1	115.4780	0.000	1	115.4780	0.000	1	115.4780	0.000	1	119.9756	7.790	5	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6,6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[6]C[6]H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	119.5890	0.000	1	119.5890	0.000	1	119.5890	0.000	1	119.5890	0.000	1	119.9756	7.790	5	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	2:3:4:3:	3:3:1:	C[5,5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5,5]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	114.5680	0.000	1	114.5680	0.000	1	114.5680	0.000	1	114.5680	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	3:3:3:3:	3:4:3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-3:N[5,5]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:N-3:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]N)(H)	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]CH)(NOO)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]N)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]CH)(NOO){1|N<3>,2|C<3>,2|H<1>}	120.5840	0.000	1	120.5840	0.000	1	120.5840	0.000	1	120.5840	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,2|C<4>}	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	3:4:4:3:	3:3:2:	C[5,5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]C)(OH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	117.8510	0.000	1	116.4160	4.118	2	116.4160	4.118	2	116.4160	4.118	2	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	3:4:4:3:	3:3:2:	C[5,5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]C)(OH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O){1|O<1>,2|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	114.9810	0.000	1	116.4160	4.118	2	116.4160	4.118	2	116.4160	4.118	2	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:2:4:3:	3:3:1:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H){1|O<2>,4|C<4>}	114.3960	0.000	1	114.3960	0.000	1	114.1875	0.087	2	114.1875	0.087	2	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:2:4:3:	3:3:1:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O){1|C<3>,6|H<1>}	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H){1|H<1>,1|O<2>,3|C<4>}	113.9790	0.000	1	113.9790	0.000	1	114.1875	0.087	2	114.1875	0.087	2	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:2:4:3:	4:3:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]H)(H)	C[5,5,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]H)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]H)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]H)(H){1|H<1>,1|O<2>,4|C<4>}	118.6130	0.000	1	118.6130	0.000	1	118.6130	0.000	1	118.6130	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6a]-3:O[5]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(C[6]C[6]H)(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[6]O[5])(C[5,6,6a]C[5,6a]C[6,6a])(O[5]C[5,6a])(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]C[6,6a]H)(H)	C[6](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(C[6]C[6]H)(O){1|H<1>,1|O<2>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[6]O[5])(C[5,6,6a]C[5,6a]C[6,6a])(O[5]C[5,6a])(C[6]C[6]O){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6]C[5,5,6]O)(C[6]C[6,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	114.3385	0.251	2	114.3385	0.063	2	114.3385	0.063	2	114.3385	0.063	2	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|O<1>,3|C<3>,5|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.7150	0.622	2	123.7150	0.387	2	123.7150	0.387	2	122.9224	2.383	5	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H){1|I<1>,2|O<1>,4|C<3>,6|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.5620	0.000	1	124.5620	0.000	1	122.3940	3.526	3	122.9224	2.383	5	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[6]S[5]H)(N[5,5]B[5]C[5])(C[5]N[5]S)(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,1|S<2>,2|C<3>}	C[5,5,6](C[5,6]C[6]S[5]H)(N[5,5]B[5]C[5])(C[5]N[5]S)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.3100	0.038	2	121.3100	0.001	2	122.3940	3.526	3	122.9224	2.383	5	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(CH3)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	126.1430	0.000	1	126.1430	0.000	1	126.1430	0.000	1	126.1430	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:3:4:3:	3:3:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]H){1|O<1>,2|C<3>,8|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	124.6300	0.000	1	124.6300	0.000	1	124.6300	0.000	1	124.6300	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H)	C[5,5,6](C[5,6]C[5]C[6]O)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]O)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	122.6940	0.000	1	122.6940	0.000	1	122.6940	0.000	1	122.6940	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:3:4:3:	3:4:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	123.4850	0.600	2	123.4850	0.360	2	123.4850	0.360	2	123.4850	0.360	2	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:3:4:3:	4:3:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[6,6]-4:C[6]-3:Br-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]Br)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(Br)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]Br)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H){1|Br<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(Br){1|C<3>,1|H<1>,4|C<4>}	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	120.1235	0.000	2	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:3:4:3:	4:3:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]H)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(H){1|C<3>,1|O<2>,4|C<4>}	120.1360	0.000	1	120.1360	0.000	1	120.1360	0.000	1	120.1235	0.000	2	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:2:3:	3:4:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:O[5]-2:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,5,6]C[5,5,6]C[5,5]O[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]CH)(H)	C[6](C[5,5,6]C[5,5,6]C[5,5]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	119.9775	0.595	4	119.9775	0.354	4	119.9775	0.354	4	119.7792	0.462	5	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:2:3:	3:4:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.9860	0.000	1	118.9860	0.000	1	118.9860	0.000	1	119.7792	0.462	5	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]C)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,5,6]H)(CH3)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]C)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]H)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,5,6]H)(CH3){1|H<1>,4|C<4>}	122.6350	0.000	1	122.6350	0.000	1	122.6350	0.000	1	122.6350	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:4:	C[5,5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]C)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6,6]O)(CH3)	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[5,6,6]O)(CH3){1|O<2>,4|C<4>}	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:3:2:	3:4:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5])	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|C<4>}	118.4155	0.145	2	118.0693	0.370	3	118.0693	0.370	3	118.2297	0.350	4	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:3:2:	3:4:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5])	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,1|S<4>,4|H<1>,5|C<4>}	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|C<4>}	117.3770	0.000	1	118.0693	0.370	3	118.0693	0.370	3	118.2297	0.350	4	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:3:2:	3:4:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5])	C[6](C[6]C[5,5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	118.2297	0.350	4	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:3:2:	4:3:4:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[3x5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:	C[6](C[5,5,6]C[3x5]C[5,6]O[5])(C[6]C[5,6]C)(H)	C[5,5,6](C[5,6]C[6]O[5]H)(C[3x5]C[5,5]2O)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5]2C[6])(C[6]C[5,5,6]H)(CH3)	C[6](C[5,5,6]C[3x5]C[5,6]O[5])(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,5,6](C[5,6]C[6]O[5]H)(C[3x5]C[5,5]2O)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,5,6]H)(CH3){1|O<2>,5|C<4>,5|H<1>}	125.1440	0.000	1	125.1440	0.000	1	125.1440	0.000	1	125.1440	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[3x5,6]2C[6])(C[6]C[6]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[3x5,6]C[5,5,6]2Cl)(C[6]C[6]H)2	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,5,6]C[3x5,6]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[3x5,6]C[5,5,6]2Cl)(C[6]C[6]H)2{3|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	124.0345	0.268	2	124.0345	0.072	2	124.0345	0.072	2	123.7347	0.306	3	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5,6]C[5,5]N[5])(C[6]C[6,6a]H)(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5,5]C[5]2N[5])(C[6]C[6]H)(N[5]C[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]H)(H)	C[6](C[5,5,6]C[5,5,6]C[5,5]N[5])(C[6]C[6,6a]H)(H){1|N<3>,3|C<3>,5|C<4>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5,5]C[5]2N[5])(C[6]C[6]H)(N[5]C[5]C){10|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	123.1350	0.000	1	123.1350	0.000	1	123.1350	0.000	1	123.7347	0.306	3	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[5]O[5]HH)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]C[6]H)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]H)(O){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]O)(C[6]C[6]H)(H){5|C<4>}	110.5100	0.000	1	110.5100	0.000	1	110.5100	0.000	1	110.5100	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[5,5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,5,6]C[3x5,6]C[5]2)(C[6]C[6]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]N[5,6]HH)(H)	C[6](C[5,5,6]C[3x5,6]C[5]2)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]H)(C[6]N[5,6]HH)(H){4|C<4>}	123.5245	0.469	2	123.5245	0.220	2	123.5245	0.220	2	123.5245	0.220	2	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	114.4330	0.714	2	114.3766	0.556	5	114.5238	0.635	10	114.6899	0.514	15	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	114.3390	0.923	3	114.3766	0.556	5	114.5238	0.635	10	114.6899	0.514	15	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	115.2183	0.716	3	114.6710	0.818	5	114.5238	0.635	10	114.6899	0.514	15	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	113.8500	0.003	2	114.6710	0.818	5	114.5238	0.635	10	114.6899	0.514	15	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<4>,5|C<3>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	115.3690	0.000	1	115.3690	0.000	1	115.0222	0.164	5	114.6899	0.514	15	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,1|S<2>,2|C<4>,6|C<3>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	115.1265	0.162	2	114.9355	0.169	4	115.0222	0.164	5	114.6899	0.514	15	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<4>,6|C<3>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	114.7445	0.578	2	114.9355	0.169	4	115.0222	0.164	5	114.6899	0.514	15	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:4:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]C)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(C[6]C[6]H){1|Si<4>,1|O<2>,3|C<4>}	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HH)(CH3){2|O<2>,3|C<4>}	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[6]	4:3:4:	4:4:2:3:	4:3:1:	C[5,5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5,5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,5,6]C[5,6,6]C[5,5]O[5])(C[6]C[5,6]H)(CH3)	C[5,5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,5,6]C)(H)	C[6](C[5,5,6]C[5,6,6]C[5,5]O[5])(C[6]C[5,6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,5,6]C)(H){1|H<1>,1|O<2>,4|C<4>}	122.8630	0.000	1	122.8630	0.000	1	122.8630	0.000	1	122.8630	0.000	1	118.8380	16.333	57	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:3:	C[5,6,6]-4:C[6,6]-3:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]2)(O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]2)(O){2|H<1>,2|O<2>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	117.4250	2.367	2	117.4250	5.605	2	117.4250	5.605	2	117.4250	5.605	2	120.1120	24.462	3	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6,6]	4:3:2:	4:4:3:1:	3:4:3:	C[5,6,6]-4:C[6,6]-3:O-2:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6])(OH)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H)	C[6,6](C[6]C[5,6,6]O)(C[6,6]C[6]2H)(C[6]C[5a,6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6])(OH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H){1|Si<4>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6]C[5,6,6]O)(C[6,6]C[6]2H)(C[6]C[5a,6]O){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	125.4860	0.000	1	125.4860	0.000	1	125.4860	0.000	1	125.4860	0.000	1	120.1120	24.462	3	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:2:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:Br-1:	C[5,6]-3:O[5,6]-2:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br)	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br)	C[6](C[6]C[5,6,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6,6]Br)(C[6]C[5,6]O)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.1840	0.000	1	119.1840	0.000	1	119.1840	0.000	1	119.1840	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:2:4:3:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	N[5,6]-3:O[6,6]-2:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]N[5,6]O[6,6]C[5])(C[6]C[6]H)(H)	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[3x6]HO)(H)	C[6](C[5,6,6]N[5,6]O[6,6]C[5])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[3x6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	122.2600	0.000	1	122.2600	0.000	1	122.2600	0.000	1	122.2600	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,5|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	121.9460	0.000	1	121.9460	0.000	1	121.9460	0.000	1	121.8550	0.017	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]H)(H){1|O<1>,3|C<3>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,9|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	121.7640	0.000	1	121.7640	0.000	1	121.7640	0.000	1	121.8550	0.017	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]H)(H)	C[5,6,6](C[6,6,6a]C[6,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]H)(H)	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.6390	0.000	1	121.6390	0.000	1	121.6390	0.000	1	120.5813	16.264	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,1|I<1>,1|O<1>,4|C<3>,6|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.9800	0.000	1	123.9800	0.000	1	123.9800	0.000	1	120.5813	16.264	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O)	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]Si)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O){1|Si<4>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]Si)(H){1|C<4>,1|H<1>,3|C<3>}	116.1250	0.000	1	116.1250	0.000	1	116.1250	0.000	1	120.5813	16.264	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:4:2:3:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[6]H)(O)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O)	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[6]H)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	114.6230	0.000	1	114.6230	0.000	1	114.6230	0.000	1	114.6230	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-3:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,2|O<2>}	122.9330	0.000	1	122.9330	0.000	1	122.9330	0.000	1	122.9330	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]N[5,6,6]C[5,6]N[6])(C[6]C[6]H)(H)	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]C)(H)	C[6](C[5,6,6]N[5,6,6]C[5,6]N[6])(C[6]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|N<3>}	120.2800	0.000	1	120.2800	0.000	1	120.2800	0.000	1	120.2800	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:4:3:3:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	124.7040	0.000	1	124.7040	0.000	1	124.7040	0.000	1	124.7040	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:4:3:3:	3:4:3:	C[5,6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CCO)	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CCO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.9430	0.000	1	121.9430	0.000	1	121.9430	0.000	1	121.9430	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	125.4610	0.000	1	125.4610	0.000	1	125.4610	0.000	1	125.4610	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:4:4:3:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	124.0675	0.066	2	124.2667	0.121	3	124.2667	0.121	3	124.2667	0.121	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	3:4:4:3:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	124.6650	0.000	1	124.2667	0.121	3	124.2667	0.121	3	124.2667	0.121	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:S[5,6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6,6]S[5,6]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6,6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]S[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6,6]H)(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	123.0180	0.315	2	123.0180	0.099	2	123.0180	0.099	2	123.0180	0.099	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:2:3:3:	3:3:4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]O)(CH3)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]O)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.7270	0.216	2	122.7270	0.047	2	122.7270	0.047	2	122.7270	0.047	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:2:3:3:	3:4:4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.6320	0.000	1	121.6320	0.000	1	123.9370	2.538	4	123.9370	2.538	4	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:2:3:3:	3:4:4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.8050	0.686	2	124.7053	0.265	3	123.9370	2.538	4	123.9370	2.538	4	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:2:3:3:	3:4:4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.5060	0.000	1	124.7053	0.265	3	123.9370	2.538	4	123.9370	2.538	4	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:2:4:3:	3:2:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H)	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(O[6]C[5,6])(H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H){2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[6](C[6]C[5,6,6]H)(O[6]C[5,6])(H){1|H<1>,1|O<2>,3|C<4>}	119.7390	0.000	1	119.5215	0.095	2	119.6333	0.094	6	119.6333	0.094	6	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:2:4:3:	3:2:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H)	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(O[6]C[5,6])(H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H){2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<2>,9|H<1>}	C[6](C[6]C[5,6,6]H)(O[6]C[5,6])(H){1|H<1>,1|O<2>,3|C<4>}	119.3040	0.000	1	119.5215	0.095	2	119.6333	0.094	6	119.6333	0.094	6	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:2:4:3:	3:2:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(O[6]C[5,6])(H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H){2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,8|H<1>}	C[6](C[6]C[5,6,6]H)(O[6]C[5,6])(H){1|H<1>,1|O<2>,3|C<4>}	119.6893	0.337	4	119.6893	0.113	4	119.6333	0.094	6	119.6333	0.094	6	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:2:4:3:	4:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]H)(H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|H<1>,5|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]H)(H){1|O<2>,4|C<4>}	120.9270	0.000	1	120.9270	0.000	1	120.9270	0.000	1	120.9270	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:N[5,5,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[6]N[5a,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6,6]H)(H)	C[6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[6]N[5a,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	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>}	123.4875	0.486	2	123.4875	0.236	2	123.4875	0.236	2	123.4875	0.236	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.0560	0.513	2	122.0560	0.264	2	122.0560	0.264	2	122.0560	0.264	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:3:2:	4:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:O[5]-2:	C[3,6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[3,6]H)(H)	C[5,6,6](C[5,6,6]C[3,6]2O[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6,6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[3,6]H)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[3,6]2O[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.1915	0.582	2	124.1915	0.339	2	124.1915	0.339	2	124.1915	0.339	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.6510	0.000	1	120.6510	0.000	1	120.6510	0.000	1	118.8530	3.492	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O){1|H<1>,3|C<3>,4|C<4>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.9870	0.000	1	118.9870	0.000	1	117.9540	2.134	2	118.8530	3.492	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.9210	0.000	1	116.9210	0.000	1	117.9540	2.134	2	118.8530	3.492	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:3:3:	3:4:1:	C[5,6,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[5,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(Cl)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[5,6,6]Cl)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(Cl){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]Cl)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	125.4030	0.000	1	125.4030	0.000	1	125.4030	0.000	1	124.0663	2.183	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:3:3:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|H<1>}	122.4800	0.000	1	122.4800	0.000	1	122.4800	0.000	1	124.0663	2.183	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:3:3:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	124.3160	0.000	1	124.3160	0.000	1	124.3160	0.000	1	124.0663	2.183	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){2|Cl<1>,1|C<3>,2|C<4>}	125.9090	0.000	1	125.9090	0.000	1	125.9090	0.000	1	125.9090	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,8|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	124.0480	0.000	1	124.0480	0.000	1	124.0480	0.000	1	124.0480	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:4:3:	3:3:2:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]O)(H)	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(OC)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,2|C<4>}	121.1050	0.000	1	121.1050	0.000	1	121.1050	0.000	1	121.1050	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:4:3:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<4>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	123.2770	0.089	2	123.2770	0.008	2	123.2770	0.008	2	123.3010	0.006	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:3:4:3:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>}	123.3490	0.000	1	123.3490	0.000	1	123.3490	0.000	1	123.3010	0.006	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:2:3:	3:2:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6]-4:O[5]-2:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]O[6]H)(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(O[6]C[6,6])(H)	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]O[6]H)(H){2|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[6](C[6]C[5,6,6]H)(O[6]C[6,6])(H){1|C<3>,1|O<2>,3|C<4>}	121.8110	0.000	1	121.8110	0.000	1	121.8110	0.000	1	121.8110	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:2:3:	3:4:4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	125.3590	0.000	1	125.3590	0.000	1	125.3590	0.000	1	125.3590	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]Br)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]O[5,6]O[6,6]H)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6,6]H)(C[6]C[5,6,6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]Br)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]O[5,6]O[6,6]H)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[5,6,6]O)(H){1|Br<1>,1|H<1>,3|C<4>}	122.1720	0.000	1	122.1720	0.000	1	122.1720	0.000	1	119.5572	1.317	13	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<4>}	119.4890	0.000	1	119.4890	0.000	1	119.4890	0.000	1	119.5572	1.317	13	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[5,6,6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[5,6,6]O)(H){1|Br<1>,1|H<1>,3|C<4>}	118.0780	0.000	1	118.0780	0.000	1	118.0780	0.000	1	119.5572	1.317	13	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	119.8280	0.304	8	119.8280	0.093	8	119.4504	0.740	10	119.5572	1.317	13	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[3,6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6]C[5,6,6]O)(C[6]C[3,6]H)(H){1|H<1>,1|O<2>,3|C<4>}	118.3310	0.000	1	118.3310	0.000	1	119.4504	0.740	10	119.5572	1.317	13	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[4,6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6]C[5,6,6]O)(C[6]C[4,6]H)(H){1|H<1>,1|O<2>,3|C<4>}	117.5490	0.000	1	117.5490	0.000	1	119.4504	0.740	10	119.5572	1.317	13	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:2:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>}	118.6310	0.000	1	118.6310	0.000	1	118.6310	0.000	1	118.6310	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(CH3)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	120.6140	0.000	1	120.6140	0.000	1	119.6710	1.778	2	119.6710	1.778	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]S)(CH3)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]S)(CH3){1|H<1>,1|O<1>,2|C<4>}	118.7280	0.000	1	118.7280	0.000	1	119.6710	1.778	2	119.6710	1.778	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:Br-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]Br)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]BrH)(Br)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]Br)(H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]BrH)(Br){2|C<4>,3|H<1>}	122.3340	0.366	2	122.3340	0.134	2	122.3340	0.134	2	122.7897	0.690	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	123.7010	0.000	1	123.7010	0.000	1	123.7010	0.000	1	122.7897	0.690	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]H)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]H)(H){1|O<2>,2|H<1>,5|C<4>}	123.0750	0.000	1	123.0750	0.000	1	123.0750	0.000	1	123.6810	0.734	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[6]-3:H-1:	P[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]P[5,5,6]H)(C[6]C[5,6]H)(H)	C[5,6,6](P[5,5,6]C[5,6,6a]O[5,5]Mo)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[5,6,6]H)(H)	C[6](C[5,6,6]C[5,6,6]P[5,5,6]H)(C[6]C[5,6]H)(H){1|Mo<6>,1|C<4>,1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[5,6,6](P[5,5,6]C[5,6,6a]O[5,5]Mo)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[5,6,6]H)(H){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|C<4>}	124.2870	0.000	1	124.2870	0.000	1	124.2870	0.000	1	123.6810	0.734	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6]){3|C<3>,9|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.0080	0.000	1	124.0080	0.000	1	124.0080	0.000	1	117.7465	9.132	8	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]H)(O)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]O)(H)	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]H)(O){1|C<3>,1|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	119.1290	0.000	1	119.1290	0.000	1	119.1290	0.000	1	117.7465	9.132	8	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]Br)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.7050	0.000	1	117.7050	0.000	1	115.5175	9.570	2	117.7465	9.132	8	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]Br)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	113.3300	0.000	1	113.3300	0.000	1	115.5175	9.570	2	117.7465	9.132	8	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5])	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O){1|C<3>,1|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<2>,6|C<4>}	117.4120	0.000	1	117.4120	0.000	1	116.8207	0.280	3	117.7465	9.132	8	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5])	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O){1|O<2>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5]){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H){1|H<1>,1|O<2>,6|C<4>}	116.5250	0.187	2	116.5250	0.035	2	116.8207	0.280	3	117.7465	9.132	8	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]H)(O)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]O)(O[5]C[5])	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]H)(O){1|C<3>,7|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H){1|H<1>,1|O<2>,6|C<4>}	117.3380	0.000	1	117.3380	0.000	1	117.3380	0.000	1	117.7465	9.132	8	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	3:3:2:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]S)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(SC)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(SC)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]S)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(SC){1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(SC){1|O<1>,1|S<2>,2|C<4>}	116.7940	0.000	1	116.7940	0.000	1	116.7940	0.000	1	116.7940	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	122.4310	0.000	1	122.4310	0.000	1	122.4310	0.000	1	122.4310	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	3:4:4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	124.1520	0.000	1	124.1520	0.000	1	123.7655	0.299	2	123.7655	0.299	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	3:4:4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	123.3790	0.000	1	123.3790	0.000	1	123.7655	0.299	2	123.7655	0.299	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	4:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]H)(H){1|O<2>,7|C<4>}	124.0330	0.000	1	124.1315	0.019	2	124.1315	0.019	2	124.1315	0.019	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:2:	4:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]H)(H){1|O<2>,7|C<4>}	124.2300	0.000	1	124.1315	0.019	2	124.1315	0.019	2	124.1315	0.019	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[3,5,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[3,5,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	124.4910	0.820	2	124.4910	0.673	2	124.4910	0.673	2	124.4910	0.673	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:2:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:S-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]O)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(SC[6a]O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]O)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(SC[6a]O){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC){1|O<1>,1|S<3>,2|C<4>}	118.2700	0.000	1	118.2700	0.000	1	118.2700	0.000	1	117.5465	1.047	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:2:	C[5,6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[3x6]-3:C[6]-3:O-2:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]O)(O)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6,6]O)(OH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]O)(O){1|O<1>,3|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6,6]O)(OH){2|C<3>,6|C<4>}	116.8230	0.000	1	116.8230	0.000	1	116.8230	0.000	1	117.5465	1.047	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	120.7880	0.000	1	120.7880	0.000	1	120.3343	0.284	3	120.3343	0.284	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6,6]O)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]O)(H){1|O<1>,3|C<4>}	120.4670	0.000	1	120.4670	0.000	1	120.3343	0.284	3	120.3343	0.284	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6,6]O)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O){1|H<1>,1|O<2>,1|S<3>,2|C<3>,2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]O)(H){1|O<1>,3|C<4>}	119.7480	0.000	1	119.7480	0.000	1	120.3343	0.284	3	120.3343	0.284	3	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:4:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]C)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5,5]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6,6]O)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5,5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]H)(C[6]C[5,6,6]O)(CH3){1|O<2>,4|C<4>}	116.7360	0.000	1	116.7360	0.000	1	116.7360	0.000	1	116.7360	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(O)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(H){5|C<4>}	114.7020	0.000	1	114.7020	0.000	1	114.7020	0.000	1	114.7020	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){5|C<4>}	119.8085	1.211	2	119.8085	1.467	2	119.8085	1.467	2	120.0402	0.474	5	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	120.0930	0.436	2	120.0930	0.190	2	120.1947	0.126	3	120.0402	0.474	5	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	120.3980	0.000	1	120.3980	0.000	1	120.1947	0.126	3	120.0402	0.474	5	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]C)(O)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CHH)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]C)(O){2|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CHH){2|O<2>,3|C<4>}	118.4570	0.000	1	118.4570	0.000	1	118.4570	0.000	1	118.4570	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:1:	4:4:4:3:	4:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]H)(H){2|H<1>,6|C<4>}	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:2:	4:3:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6,6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6]H)(OC)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[6]C[5,6,6]O)(C[6]C[6,6a]O)(H)	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6]H)(OC){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>}	124.1720	0.000	1	124.1720	0.000	1	124.1720	0.000	1	124.1720	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:2:	4:4:3:2:	3:4:1:	C[5,6,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(OC)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(OC){1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.7150	0.000	1	123.7150	0.000	1	123.7150	0.000	1	123.7150	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:2:	4:4:3:4:	3:4:1:	C[5,6,6]-4:C[6]-3:O-2:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]H)(OS)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]H)(OS){1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H){1|Br<1>,1|H<1>,3|C<4>}	129.4320	0.000	1	129.4320	0.000	1	129.4320	0.000	1	129.4320	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:3:	4:4:2:3:	4:3:1:	C[5,6,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]H)(CCH)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6,6]C)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]H)(CCH){2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6,6]C)(H){1|O<1>,2|O<2>,4|C<4>}	117.4850	0.076	2	117.4850	0.006	2	117.4850	0.006	2	117.4850	0.006	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:3:	3:4:3:	C[5,6,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]C)(CCO)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6,6]C)(C[6]C[5,6]HO)(CCH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]C)(CCO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]C)(C[6]C[5,6]HO)(CCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:3:	4:4:4:3:	3:4:3:	C[5,6,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(CHH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H){1|O<2>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	112.9830	0.000	1	112.9830	0.000	1	112.9830	0.000	1	112.9830	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:3:	4:4:4:3:	4:3:1:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]H)(C[5]C[5]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6])	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[5,6,6]C[5])(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]H)(C[5]C[5]2){1|C<4>,7|C<3>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6]){1|H<1>,4|C<4>,6|C<3>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[5,6,6]C[5])(H){4|C<3>,5|C<4>}	116.0500	0.000	2	116.0500	0.000	2	116.0500	0.000	2	116.0500	0.000	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:4:	3:3:4:3:	4:3:1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[5,6,6]C)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[5,6,6]C)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.4905	0.117	2	119.4905	0.014	2	119.4905	0.014	2	119.4905	0.014	2	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:4:	4:3:2:3:	3:4:1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:O[6]-2:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3)	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C)	C[6](C[6]C[5,6,6]C)(C[6]O[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3){2|H<1>,2|O<2>,4|C<3>}	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6,6]C)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|O<2>}	119.7450	0.000	1	119.7450	0.000	1	119.7450	0.000	1	119.7450	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[6]	4:3:4:	4:4:3:2:	3:3:1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(CH3)	C[5,6,6](C[5,6,6]C[5,6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])	C[6](C[6]C[5,6,6]C)(C[6]O[6]O)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[5,6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]C)(C[6]O[6]O)(H){1|O<2>,2|C<4>}	117.9580	0.000	1	117.9580	0.000	1	117.9580	0.000	1	117.9580	0.000	1	120.9297	9.032	115	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[3x6]	4:3:1:	4:3:2:1:	4:4:3:	C[5,6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H){1|O<2>,5|H<1>,6|C<4>}	122.0935	0.408	2	122.0830	0.084	3	122.0830	0.084	3	122.0830	0.084	3	122.0830	0.084	3	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[3x6]	4:3:1:	4:3:2:1:	4:4:3:	C[5,6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H){3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H){1|O<2>,5|H<1>,6|C<4>}	122.0620	0.000	1	122.0830	0.084	3	122.0830	0.084	3	122.0830	0.084	3	122.0830	0.084	3	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	3:4:1:	4:3:2:4:	4:4:3:	C[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[5,6]H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5]C)(H){2|C<3>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[5,6]H){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	125.3100	0.000	1	125.3100	0.000	1	125.3100	0.000	1	125.3100	0.000	1	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	3:4:1:	4:3:4:1:	3:4:3:	C[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[5,6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5,6]C[5]H)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[5,6]H){3|C<3>,3|C<4>,5|H<1>}	123.0823	1.820	3	123.0823	3.313	3	123.0823	3.313	3	123.0823	3.313	3	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	3:4:4:	3:4:2:2:	4:3:3:	C[6,6]-3:C[5,6]-4:C-4:	C[6]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)	C[5,6](C[6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3){1|O<1>,2|H<1>,6|C<4>}	C[5,6](C[6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O){2|O<2>,3|C<4>,5|H<1>}	121.8300	0.000	1	121.8300	0.000	1	121.8300	0.000	1	121.8300	0.000	1	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	3:4:4:	3:4:4:3:	4:4:3:	C[6,6]-3:C[5,6]-4:C-4:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3)	C[5,6](C[6]C[6,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[5,6](C[6]C[6,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]O[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(O[6]C[6,6a])	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]O[6])(H){1|H<1>,1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	122.0750	0.000	1	122.0750	0.000	1	122.0750	0.000	1	122.8060	1.069	2	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:S[6]-2:	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(S[6]C[6,6a])	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H){1|H<1>,1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	123.5370	0.000	1	123.5370	0.000	1	123.5370	0.000	1	122.8060	1.069	2	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]N[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]N[6,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[5,6]H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	125.4605	0.320	2	125.4605	0.103	2	125.4605	0.103	2	125.4605	0.103	2	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	3:4:3:2:	4:3:4:	C[5,6]-4:C[6,6]-3:H-1:	C[6]-3:C[6]-4:N[5]-3:S[5]-2:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6,6]C[6,6]C[6])(H)	C[5,6](C[6]C[6,6]H)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,6]C[6]N[5]S[5])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6]C[6,6]H)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5]){1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|N<3>,1|S<2>,3|C<4>,5|H<1>}	124.3080	0.000	1	124.3080	0.000	1	124.3080	0.000	1	124.3080	0.000	1	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.0233	0.284	3	121.0240	0.054	4	121.2228	0.443	9	121.2228	0.443	9	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.0260	0.000	1	121.0240	0.054	4	121.2228	0.443	9	121.2228	0.443	9	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.7710	0.628	3	121.3360	1.020	4	121.2228	0.443	9	121.2228	0.443	9	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.0310	0.000	1	121.3360	1.020	4	121.2228	0.443	9	121.2228	0.443	9	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.5650	0.000	1	121.5650	0.000	1	121.2228	0.443	9	121.2228	0.443	9	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:4:	C[5,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[6,6](C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	123.5000	0.000	1	123.5000	0.000	1	123.5000	0.000	1	122.3360	2.710	2	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:4:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|O<2>,3|H<1>,6|C<4>}	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	122.3360	2.710	2	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:2:1:	4:4:3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[5,6]C[6,6])(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[5,6]C[6,6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H){1|O<2>,3|H<1>,7|C<4>}	123.3150	0.000	1	123.3150	0.000	1	123.3150	0.000	1	123.3150	0.000	1	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:2:2:	4:3:3:	C[5,6]-4:C[6,6]-3:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	115.9935	0.729	2	116.2047	0.400	3	116.2047	0.400	3	116.2047	0.400	3	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:2:2:	4:3:3:	C[5,6]-4:C[6,6]-3:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	116.6270	0.000	1	116.2047	0.400	3	116.2047	0.400	3	116.2047	0.400	3	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6,6]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H)	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6,6]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O){2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|H<1>,5|C<4>}	114.7780	0.000	1	114.7780	0.000	1	114.7780	0.000	1	114.7780	0.000	1	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:4:1:	4:3:4:	C[5,6]-4:C[6,6]-3:Br-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(Br)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(Br){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH){3|C<4>,7|H<1>}	122.6450	0.000	1	122.6450	0.000	1	122.6450	0.000	1	123.5853	6.926	3	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:4:1:	4:3:4:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H){2|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	121.5530	0.000	1	121.5530	0.000	1	124.0555	12.525	2	123.5853	6.926	3	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:4:1:	4:3:4:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	126.5580	0.000	1	126.5580	0.000	1	124.0555	12.525	2	123.5853	6.926	3	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:3:4:2:	4:3:3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	125.3920	0.000	1	125.3920	0.000	1	125.3920	0.000	1	125.3920	0.000	1	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:C[6,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	127.3280	0.000	1	127.3280	0.000	1	127.3280	0.000	1	127.3280	0.000	1	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:2:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6,6]C[6])(OH)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6,6]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[5,6]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	118.2600	1.771	2	118.2600	3.135	2	118.2600	3.135	2	118.2600	3.135	2	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:3:	3:3:3:3:	4:3:3:	C[5,6]-4:C[6,6]-3:C-3:	C[5a,6]-3:C[5,6a]-3:C[6]-3:C[5]-3:	C[6,6]-4:N[6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O)	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|N<3>,5|C<3>}	123.0550	0.000	1	123.0550	0.000	1	123.0550	0.000	1	123.0550	0.000	1	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6,6]	4:3:3:	4:3:4:4:	4:3:4:	C[5,6]-4:C[6,6]-3:B[5]-3:	C[5,6]-4:C[6]-3:C[5]-4:C[5]-4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6])(B[5]O[5]2)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]B[5])(C[5]C[5]HH)(C[5]O[5]CH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6])(B[5]O[5]2){1|C<3>,1|O<2>,7|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]B[5])(C[5]C[5]HH)(C[5]O[5]CH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	121.5488	10.400	37	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:2:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	O[5]-2:S[5]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H)	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	122.5920	1.523	2	122.5920	2.320	2	122.5920	2.320	2	120.2895	7.892	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:2:3:3:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	O[5]-2:S[5]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O)	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	117.9870	0.387	2	117.9870	0.150	2	117.9870	0.150	2	120.2895	7.892	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:3:2:1:	3:3:3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	120.4385	0.035	2	120.4385	0.001	2	120.4385	0.001	2	117.6984	12.252	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:3:2:1:	3:3:3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	119.8690	0.000	1	119.8690	0.000	1	119.8690	0.000	1	117.6984	12.252	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:3:2:1:	3:3:3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	113.8730	0.105	2	113.8730	0.011	2	113.8730	0.011	2	117.6984	12.252	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:3:2:1:	4:3:3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CCH)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CCH){1|C<4>,2|H<1>,2|O<2>}	115.7495	1.161	4	115.7495	1.348	4	115.7255	0.514	13	115.7255	0.514	13	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:3:2:1:	4:3:3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H){1|C<4>,2|H<1>,2|O<2>}	115.4790	0.576	2	115.4790	0.331	2	115.7255	0.514	13	115.7255	0.514	13	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:3:2:1:	4:3:3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){1|C<4>,2|H<1>,2|O<2>}	115.7821	0.524	7	115.7821	0.274	7	115.7255	0.514	13	115.7255	0.514	13	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	C[6](C[6]C[5,6,6]Br)(C[6]C[5,6]O)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	112.1260	0.000	1	112.1260	0.000	1	112.6055	0.460	2	113.9107	5.340	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	113.0850	0.000	1	113.0850	0.000	1	112.6055	0.460	2	113.9107	5.340	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	116.5210	0.000	1	116.5210	0.000	1	116.5210	0.000	1	113.9107	5.340	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:3:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	118.3110	0.000	1	118.3110	0.000	1	118.3110	0.000	1	118.3110	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:3:3:2:	4:3:4:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-4:	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]H)(CH3)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	120.7155	0.066	2	120.7155	0.004	2	120.7155	0.004	2	120.7155	0.004	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:Br-1:	O[5,6]-2:C[6]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br)	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.6930	0.000	1	118.6930	0.000	1	118.6930	0.000	1	118.6930	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.5250	0.000	1	119.7830	0.133	2	119.6947	0.090	3	116.4748	7.476	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H){1|H<1>,1|O<2>,3|C<4>}	120.0410	0.000	1	119.7830	0.133	2	119.6947	0.090	3	116.4748	7.476	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.5180	0.000	1	119.5180	0.000	1	119.6947	0.090	3	116.4748	7.476	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O){2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	113.6470	0.000	1	113.6470	0.000	1	114.7073	0.616	4	116.4748	7.476	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O){1|O<2>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,3|O<2>,4|C<4>}	115.5370	0.000	1	115.0607	0.174	3	114.7073	0.616	4	116.4748	7.476	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O){1|O<2>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){2|H<1>,2|O<2>,4|C<4>}	114.8225	0.087	2	115.0607	0.174	3	114.7073	0.616	4	116.4748	7.476	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O){2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]O)(H){1|O<2>,3|H<1>,4|C<4>}	113.8850	0.000	1	113.8850	0.000	1	113.8850	0.000	1	116.4748	7.476	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	120.3215	0.261	2	120.3215	0.068	2	120.3215	0.068	2	116.1800	14.322	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	113.4110	0.216	2	113.4110	0.047	2	113.4110	0.047	2	116.1800	14.322	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	113.4350	0.000	1	113.4350	0.000	1	113.4350	0.000	1	116.1800	14.322	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[4,6]H)(H)	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,5,5,6]C[4]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[4,6]H)(H){3|C<4>,3|H<1>}	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[4,6]C[4,5,5,6]C[4]H)(C[6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.0030	0.000	1	119.0030	0.000	1	119.0030	0.000	1	119.7280	1.051	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]H)(H){1|H<1>,1|O<2>,3|C<4>}	120.4530	0.000	1	120.4530	0.000	1	120.4530	0.000	1	119.7280	1.051	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:1:	4:3:4:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	120.0535	0.282	2	120.0535	0.080	2	120.0535	0.080	2	120.0535	0.080	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:2:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5,5]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,6])(C[5,5]C[5]3)(C[6]C[6]H)(CC)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[5,5]C[5]3)(C[6]C[6]H)(CC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	119.5245	0.070	2	119.5245	0.005	2	119.5245	0.005	2	119.5245	0.005	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]H)(O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]H)(O){2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,2|C<4>}	113.6505	0.388	2	113.6505	0.151	2	113.6505	0.151	2	113.6505	0.151	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	2:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H){1|O<2>,4|C<4>}	120.4610	0.000	1	120.4610	0.000	1	120.4610	0.000	1	120.4610	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:2:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:O[6]-2:C[6]-3:O[5]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]H)(H){1|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|O<2>,3|C<3>}	121.5020	0.556	3	121.5020	0.309	3	121.5020	0.309	3	121.5020	0.309	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:2:3:3:	3:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|O<2>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,2|C<3>}	121.2580	0.000	1	121.2580	0.000	1	121.2580	0.000	1	121.2580	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:2:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.6480	0.000	1	122.6480	0.000	1	122.6480	0.000	1	122.6480	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:2:3:4:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.3480	0.000	1	121.3480	0.000	1	121.3480	0.000	1	121.3480	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:2:3:4:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:O[5,6]-2:C[6]-3:C-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]O[5,6]C)(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]O[5,6]C)(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.7370	0.000	1	117.7370	0.000	1	117.7370	0.000	1	117.7370	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:2:2:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)	C[5,6](C[6]C[6]H)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[6]C[6]H)2(O[5]C[5])2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	123.1695	0.035	2	123.1695	0.001	2	123.1695	0.001	2	123.4830	0.443	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:2:2:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S[5]-2:S[5]-2:	C[4,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H)	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2{2|C<4>,6|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,2|S<2>,3|C<4>}	123.7965	0.967	2	123.7965	0.934	2	123.7965	0.934	2	123.4830	0.443	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:2:2:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]C[6a])(H)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]C[6a])(H){2|C<4>,2|O<2>,4|C<3>}	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(C[6a]C[6a]2){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	125.6395	0.578	2	125.6395	0.334	2	125.6395	0.334	2	125.6395	0.334	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[5,6]H)(H){1|O<2>,5|C<3>}	120.4290	0.000	1	120.4290	0.000	1	120.8040	0.281	2	120.8040	0.281	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:2:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.1790	0.000	1	121.1790	0.000	1	120.8040	0.281	2	120.8040	0.281	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]H)(O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]H)(O){4|C<3>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	114.2360	0.458	2	114.2360	0.210	2	114.2360	0.210	2	114.2360	0.210	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:2:4:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|P<4>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|O<2>,2|C<4>}	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.5990	0.000	1	121.5990	0.000	1	121.5990	0.000	1	121.5990	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5])	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H){1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){1|N<2>,3|C<3>}	124.3350	0.000	2	124.3350	0.000	2	124.2485	0.010	4	122.6344	1.755	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5])	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H){1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5]){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){1|N<2>,3|C<3>}	124.1620	0.000	2	124.1620	0.000	2	124.2485	0.010	4	122.6344	1.755	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)2(O[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	122.1005	0.234	4	122.1005	0.055	4	122.1005	0.055	4	122.6344	1.755	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	122.7315	0.315	2	122.7315	0.099	2	122.7548	0.109	5	122.6344	1.755	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	122.5010	0.000	1	122.5010	0.000	1	122.7548	0.109	5	122.6344	1.755	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5]){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	122.9050	0.475	2	122.9050	0.226	2	122.7548	0.109	5	122.6344	1.755	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	122.8347	0.199	6	122.8347	0.040	6	122.8347	0.040	6	122.6344	1.755	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.4435	0.085	6	122.4435	0.007	6	122.4435	0.007	6	122.6344	1.755	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H)	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5]){1|C<3>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	123.0195	0.071	2	123.0195	0.005	2	123.0195	0.005	2	122.6344	1.755	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	N[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H)	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	122.8220	0.221	2	122.8220	0.049	2	122.8220	0.049	2	122.6344	1.755	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]O[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O[5]C[5])	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6a]C[6,6a]O[5])(C[6]C[6]H)(O){1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O[5]C[5]){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){1|O<2>,3|C<3>}	116.5100	0.000	1	116.5100	0.000	1	116.5100	0.000	1	122.6344	1.755	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H)	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	123.8660	0.117	2	123.8660	0.014	2	123.8660	0.014	2	123.8660	0.014	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:2:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.8590	0.451	8	122.8590	0.203	8	122.8590	0.203	8	122.8590	0.203	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:Cl-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(Cl)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[6]C[5,6]Cl)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C){1|I<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	123.4790	0.000	1	123.4790	0.000	1	123.4790	0.000	1	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5a]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6]C[6]H)2(N[5]C[5]O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5a]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6]C[6]H)2(N[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	123.0625	0.124	2	123.0625	0.015	2	123.0625	0.015	2	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]H)(H){1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,5|C<3>}	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H){7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[5,6]H)(H){4|C<3>}	125.2230	0.000	1	125.2230	0.000	1	125.2435	0.001	2	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|O<2>,2|H<1>,8|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){4|C<3>}	125.2640	0.000	1	125.2640	0.000	1	125.2435	0.001	2	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	123.4475	0.710	8	123.4475	0.504	8	123.2389	0.428	12	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	122.8285	0.135	2	122.8285	0.018	2	123.2389	0.428	12	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2{3|H<1>,6|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	122.8150	0.338	2	122.8150	0.114	2	123.2389	0.428	12	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H){1|H<1>,3|C<3>}	124.3410	0.171	2	124.3410	0.029	2	124.3410	0.029	2	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H){1|S<2>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){4|C<3>}	124.1350	0.000	1	124.1350	0.000	1	124.1350	0.000	1	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H){1|N<3>,1|O<2>,3|C<3>}	123.0530	0.000	1	123.2960	0.118	2	123.2960	0.118	2	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H){1|N<3>,1|S<2>,3|C<3>}	123.5390	0.000	1	123.2960	0.118	2	123.2960	0.118	2	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	124.1445	0.074	2	124.1445	0.006	2	122.9450	0.798	8	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6]Cl)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]Cl)(H){1|H<1>,3|C<3>}	122.5180	0.000	1	122.5180	0.000	1	122.9450	0.798	8	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	122.5690	0.000	1	122.5690	0.000	1	122.9450	0.798	8	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	122.6780	0.000	1	122.6780	0.000	1	122.9450	0.798	8	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>}	121.4780	0.000	1	121.4780	0.000	1	122.9450	0.798	8	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N){2|H<1>,7|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	123.0140	0.379	2	123.0140	0.144	2	122.9450	0.798	8	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.5760	0.511	4	121.5760	0.262	4	122.2784	1.262	20	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.7743	0.499	3	120.7743	0.249	3	122.2784	1.262	20	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C){1|I<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	123.5120	0.000	1	123.5120	0.000	1	122.2784	1.262	20	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.0060	0.338	2	121.0060	0.114	2	122.2784	1.262	20	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	123.0050	0.165	2	123.1417	0.178	10	122.2784	1.262	20	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	123.2112	0.548	4	123.1417	0.178	10	122.2784	1.262	20	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	122.7665	0.153	2	123.1417	0.178	10	122.2784	1.262	20	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	123.5145	0.180	2	123.1417	0.178	10	122.2784	1.262	20	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[6a]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){4|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	122.7735	0.223	4	122.7735	0.050	4	122.7735	0.050	4	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:I-1:	C[5a,6]-3:C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]C[6,6a]H)(I)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]I)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[5,6]I)(H)	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]C[6,6a]H)(I){7|C<3>}	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]I){1|N<3>,3|H<1>,7|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[5,6]I)(H){1|O<2>,5|C<3>}	127.3460	0.000	1	127.3460	0.000	1	127.3460	0.000	1	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){4|C<3>}	117.8260	0.000	1	117.8260	0.000	1	117.8260	0.000	1	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]Br)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]Br)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br){4|C<3>}	116.8555	0.911	2	116.8555	0.831	2	116.8555	0.831	2	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|Si<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){4|C<3>}	117.2020	0.000	1	117.2020	0.000	1	117.2218	0.386	4	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){4|C<3>}	117.8590	0.000	1	117.2283	0.579	3	117.2218	0.386	4	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){3|H<1>,8|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){4|C<3>}	116.9130	0.750	2	117.2283	0.579	3	117.2218	0.386	4	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H){1|H<1>,3|C<3>}	117.4050	0.000	1	117.4050	0.000	1	117.8597	0.241	3	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	117.7930	0.000	1	117.7930	0.000	1	117.8597	0.241	3	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	118.3810	0.000	1	118.3810	0.000	1	117.8597	0.241	3	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.8953	0.357	4	116.8953	0.127	4	116.5881	0.650	9	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.1257	0.691	3	116.1257	0.477	3	116.5881	0.650	9	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.6675	1.684	2	116.6675	2.835	2	116.5881	0.650	9	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O){2|H<1>,9|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){4|C<3>}	117.9200	0.680	2	117.9200	0.463	2	117.9200	0.463	2	121.3383	8.208	78	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[5,6]C[5]N[5]N[6])(C[6]C[6,6a]O)(H)	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(OC)	C[6](C[5,6]C[5]N[5]N[6])(C[6]C[6,6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(OC){1|H<1>,2|N<3>,3|C<3>}	122.9540	0.000	1	122.9540	0.000	1	122.9540	0.000	1	122.9540	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|S<2>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	124.1610	0.062	2	124.1610	0.004	2	123.9832	0.053	4	123.5220	2.227	13	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|N<2>,2|C<4>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	123.8055	0.168	2	123.8055	0.028	2	123.9832	0.053	4	123.5220	2.227	13	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	123.9001	0.349	8	123.9001	0.122	8	123.9001	0.122	8	123.5220	2.227	13	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|N<2>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){1|H<1>,3|C<3>}	118.6520	0.000	1	118.6520	0.000	1	118.6520	0.000	1	123.5220	2.227	13	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(H){4|C<3>}	123.5240	0.000	1	123.5240	0.000	1	123.2845	0.115	2	123.2845	0.115	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[6]C[6,6a]HN)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[5,6]H)(H){4|C<3>}	123.0450	0.000	1	123.0450	0.000	1	123.2845	0.115	2	123.2845	0.115	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCN)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCN){1|C<4>,1|H<1>,2|C<3>}	116.9197	0.402	3	116.9197	0.161	3	116.8254	0.165	5	116.8254	0.165	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCO){1|C<4>,1|H<1>,2|C<3>}	116.6840	0.522	2	116.6840	0.272	2	116.8254	0.165	5	116.8254	0.165	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:4:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	120.4050	0.000	1	120.4050	0.000	1	120.4050	0.000	1	120.4050	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:4:	3:4:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	121.9730	0.000	1	121.9730	0.000	1	121.9730	0.000	1	121.9730	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:3:4:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.7970	0.000	1	124.7970	0.000	1	124.7970	0.000	1	124.7970	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H){3|H<1>,8|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){1|C<4>,3|C<3>}	123.3230	0.262	2	123.3230	0.068	2	123.3230	0.068	2	118.0381	13.422	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	113.9140	0.000	1	113.9140	0.000	1	113.9140	0.000	1	118.0381	13.422	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[6a]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){4|C<3>,5|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,3|C<3>}	114.9415	0.214	2	114.9415	0.046	2	114.9415	0.046	2	118.0381	13.422	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O){5|C<3>,5|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){1|C<4>,3|C<3>}	118.3880	0.000	1	118.3880	0.000	1	118.4940	0.022	2	118.0381	13.422	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O){5|C<3>,5|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){1|C<4>,3|C<3>}	118.6000	0.000	1	118.6000	0.000	1	118.4940	0.022	2	118.0381	13.422	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:N[5,6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]H)(O){3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,5|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	116.8740	0.000	1	116.8740	0.000	1	116.8740	0.000	1	118.0381	13.422	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:3:4:3:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H){1|C<4>,4|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	124.4080	0.000	1	124.4080	0.000	1	124.4080	0.000	1	124.4080	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:2:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){2|C<4>,5|C<3>}	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.8720	0.423	2	122.8720	0.179	2	122.8720	0.179	2	122.8720	0.179	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:2:3:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5]-4:O[5]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]C)(O){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	117.7060	0.000	1	117.7060	0.000	1	117.7060	0.000	1	117.7060	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:2:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.6540	0.000	1	122.6540	0.000	1	122.6540	0.000	1	120.6480	5.353	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	N[5,6,6]-3:C[5,5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]N[5,6,6]C[5,5]H)(C[6]C[6,6a]H)(H)	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,5]H)(C[6]C[6,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.0870	0.000	1	122.0870	0.000	1	122.0870	0.000	1	120.6480	5.353	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(H){2|C<4>,4|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.7480	0.000	1	121.7480	0.000	1	121.0150	0.449	4	120.6480	5.353	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7707	0.561	3	120.7707	0.315	3	121.0150	0.449	4	120.6480	5.353	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]O)(H){2|C<4>,2|H<1>,3|C<3>}	115.7350	0.000	1	115.7350	0.000	1	115.7350	0.000	1	120.6480	5.353	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	121.5192	9.280	6	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	123.0585	0.905	4	123.0585	0.819	4	123.0585	0.819	4	121.5192	9.280	6	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC){1|C<3>,1|H<1>,3|C<4>}	115.6560	0.000	1	115.6560	0.000	1	115.6560	0.000	1	121.5192	9.280	6	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<2>,3|C<3>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	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>}	122.4460	0.000	1	122.4460	0.000	1	122.4460	0.000	1	122.4460	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	121.8400	0.000	1	121.8400	0.000	1	122.0960	0.131	2	122.1227	0.525	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	122.3520	0.000	1	122.3520	0.000	1	122.0960	0.131	2	122.1227	0.525	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	N[5,5]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]H)(H)	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	122.8150	0.000	1	122.8150	0.000	1	122.8150	0.000	1	122.1227	0.525	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>}	121.9510	0.851	2	121.9510	0.725	2	121.9630	0.812	4	122.1227	0.525	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.9000	0.000	1	122.9000	0.000	1	121.9630	0.812	4	122.1227	0.525	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]N[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5]N[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){1|C<4>,1|N<3>,2|H<1>}	121.0500	0.000	1	121.0500	0.000	1	121.9630	0.812	4	122.1227	0.525	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	120.8405	0.402	2	120.8405	0.162	2	120.8405	0.162	2	121.4774	1.348	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4550	0.000	1	120.4550	0.000	1	121.8225	1.156	4	121.4774	1.348	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	122.4440	0.899	2	122.4440	0.809	2	121.8225	1.156	4	121.4774	1.348	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.9470	0.000	1	121.9470	0.000	1	121.8225	1.156	4	121.4774	1.348	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[5,6,6]H)(H)	C[5,6](C[5,6]C[5,6,6]C[5])(P[5]O[5]MoC)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]P[5,5,6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[5,6,6]H)(H){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5])(P[5]O[5]MoC)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]P[5,5,6]H)(C[6]C[5,6]H)(H){1|Mo<6>,1|C<4>,1|O<2>,1|P<4>,2|C<3>,2|H<1>}	122.9260	0.000	1	122.9260	0.000	1	122.9260	0.000	1	121.4774	1.348	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(Br)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(Br){1|C<4>,2|C<3>,2|H<1>}	119.9220	0.000	1	119.9220	0.000	1	119.9220	0.000	1	121.4774	1.348	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	4:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	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){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|S<4>,3|H<1>}	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>}	121.4770	0.000	1	121.4770	0.000	1	121.4770	0.000	1	121.6030	0.032	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	4:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]H)(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	121.6030	0.032	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	4:3:3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(CHH)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(CHH){1|C<4>,1|H<1>,3|C<3>}	118.6740	0.000	1	118.6740	0.000	1	118.6740	0.000	1	118.6740	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:1:	4:3:4:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(H){1|N<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3){1|H<1>,1|N<3>,3|C<4>}	120.5790	0.000	3	120.5790	0.000	3	120.5790	0.000	3	120.5790	0.000	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.0200	0.000	1	124.0200	0.000	1	124.0200	0.000	1	117.2069	8.637	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[5]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[6]-3:Br-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]Br)(H)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(Br)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]Br)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.7580	0.000	1	120.7580	0.000	1	120.7580	0.000	1	117.2069	8.637	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]Br)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]Br)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|Br<1>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br){1|C<4>,1|O<2>,2|C<3>}	115.9114	0.868	8	115.9114	0.754	8	115.9114	0.754	8	117.2069	8.637	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.2910	0.000	1	122.2910	0.000	1	122.2910	0.000	1	123.6805	3.861	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-3:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]C)(H)	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	125.0700	0.000	1	125.0700	0.000	1	125.0700	0.000	1	123.6805	3.861	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:2:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	N[5]-3:C[6]-4:C[6]-3:N[5]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5])	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){2|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	124.5725	0.135	2	124.5725	0.018	2	124.5725	0.018	2	124.5725	0.018	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2{2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	124.0495	0.945	2	124.0495	0.894	2	124.1014	0.235	8	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	124.2545	0.360	4	124.2545	0.130	4	124.1014	0.235	8	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	123.8470	0.362	2	123.8470	0.131	2	124.1014	0.235	8	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.0200	0.000	1	121.0200	0.000	1	121.0200	0.000	1	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>}	124.2055	0.571	2	124.2055	0.326	2	124.2055	0.326	2	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	117.4560	0.000	1	117.4560	0.000	1	116.5506	4.418	5	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	117.4470	0.000	1	117.4470	0.000	1	116.5506	4.418	5	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|C<4>,2|H<1>,4|C<3>}	116.8880	0.000	1	114.8785	8.076	2	116.5506	4.418	5	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|C<4>,2|H<1>,4|C<3>}	112.8690	0.000	1	114.8785	8.076	2	116.5506	4.418	5	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	118.0930	0.000	1	118.0930	0.000	1	116.5506	4.418	5	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O){2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){1|C<4>,3|C<3>}	118.8675	0.868	2	118.8675	0.753	2	118.8675	0.753	2	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]C[6]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(N[5]C[5]H)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]C[6]H)(O){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(N[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){1|C<4>,1|N<3>,2|C<3>}	118.0940	0.000	1	118.0940	0.000	1	118.0940	0.000	1	121.2138	12.606	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:2:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-2:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	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){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	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>}	116.4920	0.000	1	116.1620	0.218	2	116.1620	0.218	2	116.1620	0.218	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:2:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-2:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	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){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	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>}	115.8320	0.000	1	116.1620	0.218	2	116.1620	0.218	2	116.1620	0.218	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|H<1>,4|C<3>}	124.9990	0.000	1	124.9990	0.000	1	124.9990	0.000	1	123.3140	5.678	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]S)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]S){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.6290	0.000	1	121.6290	0.000	1	121.6290	0.000	1	123.3140	5.678	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH){1|H<1>,2|C<4>,5|C<3>}	122.8747	1.254	3	122.8747	1.572	3	122.8747	1.572	3	121.7570	6.045	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	118.4040	0.000	1	118.4040	0.000	1	118.4040	0.000	1	121.7570	6.045	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.0210	0.000	1	123.0210	0.000	1	123.0210	0.000	1	121.4777	3.561	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){2|C<3>,2|C<4>}	119.3740	0.000	1	119.3740	0.000	1	119.3740	0.000	1	121.4777	3.561	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]N[6])(C[6]C[6]2H)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5,6](N[5,6]C[5]N[6])(C[6]C[6]2H)(C[5]N[5]O)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H){1|C<3>,1|N<3>,2|C<4>}	122.0380	0.000	1	122.0380	0.000	1	122.0380	0.000	1	121.4777	3.561	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){2|C<3>,3|C<4>,3|H<1>}	123.6210	0.000	1	123.6210	0.000	1	123.6210	0.000	1	120.7600	16.371	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,5|C<3>}	117.8990	0.000	1	117.8990	0.000	1	117.8990	0.000	1	120.7600	16.371	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]H)(H){1|C<4>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.8570	0.000	1	123.8570	0.000	1	123.8570	0.000	1	123.8570	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:4:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	124.7680	0.000	1	124.7680	0.000	1	124.7680	0.000	1	124.7680	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	3:4:3:4:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	123.8830	0.000	1	123.8830	0.000	1	123.8830	0.000	1	123.8830	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	3:2:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>}	121.3860	0.000	1	121.3860	0.000	1	121.3860	0.000	1	121.3860	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6]-3:Br-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br)	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|O<2>,2|C<4>,2|H<1>}	119.6240	0.000	1	119.6240	0.000	1	119.6240	0.000	1	117.4594	12.117	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br)	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|O<2>,2|C<4>,2|H<1>}	120.3940	0.000	1	120.3940	0.000	1	120.3940	0.000	1	117.4594	12.117	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	120.4145	0.691	2	120.4145	0.477	2	120.4145	0.477	2	117.4594	12.117	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(O)	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|O<2>,2|C<4>,2|H<1>}	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	117.4594	12.117	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|O<2>,2|C<4>,2|H<1>}	114.3290	0.000	1	114.3290	0.000	1	114.3290	0.000	1	117.4594	12.117	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(O)	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|O<2>,2|C<4>,2|H<1>}	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	117.4594	12.117	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	3:3:2:	C[5,6]-4:C[6]-3:O-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]O)(O)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(OC)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]O)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(OC){1|O<2>,2|C<4>,2|H<1>}	118.8360	0.000	1	118.8360	0.000	1	118.8360	0.000	1	118.8360	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(O){2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]O)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	114.4680	0.013	2	114.4680	0.000	2	114.4680	0.000	2	114.4680	0.000	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	3:4:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(COO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,2|O<2>}	124.8230	0.544	2	124.8230	0.296	2	124.8230	0.296	2	124.8230	0.296	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	3:4:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H){2|H<1>,6|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	123.0320	0.000	1	123.0320	0.000	1	123.0320	0.000	1	123.0320	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	123.0010	0.000	1	123.0010	0.000	1	123.0010	0.000	1	121.3593	2.401	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]H)(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]H)(H){2|O<2>,3|C<4>,4|H<1>}	121.1550	0.000	1	121.1550	0.000	1	121.1550	0.000	1	121.3593	2.401	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H){1|N<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	119.9220	0.000	1	119.9220	0.000	1	119.9220	0.000	1	121.3593	2.401	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,2|C<4>}	119.0990	0.028	2	119.0990	0.001	2	119.0990	0.001	2	119.8676	7.947	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:O[6]-2:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5])	C[6](C[6]C[4,6]N)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[4,6]N)(C[6]C[5,6]H)(H){2|O<2>,3|C<4>}	122.5980	0.549	2	122.5980	0.301	2	122.5980	0.301	2	119.8676	7.947	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:2:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6,6]-4:O[5]-2:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,2|O<2>}	115.9440	0.000	1	115.9440	0.000	1	115.9440	0.000	1	119.8676	7.947	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,6]CH)(O[5]C[5,6])(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5,6]CH)(O[5]C[5,6])(C[6]C[6]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.3105	0.559	2	123.3105	0.313	2	123.6050	0.545	4	123.6050	0.545	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(O[5]C[5,5])(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(O[5]C[5,5])(C[6]C[6]H)2{1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.8995	0.988	2	123.8995	0.976	2	123.6050	0.545	4	123.6050	0.545	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:3:	3:3:2:	C[5,6]-4:C[6]-3:O-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]S)(O)	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(SC[6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]S)(O){3|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(SC[6a]){1|C<3>,1|O<2>,2|C<4>}	117.1520	0.000	1	117.1520	0.000	1	117.1520	0.000	1	117.1520	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(H)	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.9040	0.000	1	124.9040	0.000	1	124.3520	0.609	2	124.3520	0.609	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	123.8000	0.000	1	123.8000	0.000	1	124.3520	0.609	2	124.3520	0.609	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:4:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3)	C[6](C[6]C[5,3x6]O)(C[6]C[5,6]H)(CC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[5,3x6]O)(C[6]C[5,6]H)(CC3){2|O<2>,3|C<4>}	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:2:3:4:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	124.3815	0.746	2	124.3815	0.557	2	124.3815	0.557	2	124.3815	0.557	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H){2|Cl<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>}	122.3100	0.000	1	122.3100	0.000	1	122.3100	0.000	1	120.2648	5.881	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.9420	0.000	1	120.9420	0.000	1	120.9420	0.000	1	120.2648	5.881	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	122.0510	0.000	1	122.0510	0.000	1	122.0510	0.000	1	120.2648	5.881	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.6730	0.000	1	119.6730	0.000	1	119.6730	0.000	1	120.2648	5.881	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|O<2>}	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	120.2648	5.881	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:S[5]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,5,6]S[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]H)(S[5]C[5])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,5,6]S[5]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]H)(S[5]C[5])(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC){1|C<4>,1|S<2>,2|H<1>}	119.2570	0.226	2	119.2570	0.051	2	119.2570	0.051	2	119.2570	0.051	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.7970	0.000	1	119.7970	0.000	1	119.7970	0.000	1	120.0245	0.104	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|O<2>}	120.2520	0.000	1	120.2520	0.000	1	120.2520	0.000	1	120.0245	0.104	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	124.5070	0.000	1	124.5070	0.000	1	124.3608	0.939	6	123.7348	1.985	14	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]Br)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	125.9460	0.000	1	125.9460	0.000	1	124.3608	0.939	6	123.7348	1.985	14	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.4160	0.641	2	123.9280	0.470	4	124.3608	0.939	6	123.7348	1.985	14	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	123.4400	0.219	2	123.9280	0.470	4	124.3608	0.939	6	123.7348	1.985	14	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Cl)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H)	C[6](C[6]C[5,6]Cl)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Cl){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H){1|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	125.1040	0.000	1	125.1040	0.000	1	125.1040	0.000	1	123.7348	1.985	14	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:Br-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(Br)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|F<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(Br){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	122.5865	0.117	2	122.5865	0.014	2	122.5865	0.014	2	123.7348	1.985	14	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[6]C[5,6]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,1|O<2>}	120.3740	0.000	1	120.3740	0.000	1	122.3043	2.839	3	123.7348	1.985	14	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|F<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	123.4800	0.000	1	123.4800	0.000	1	122.3043	2.839	3	123.7348	1.985	14	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.0590	0.000	1	123.0590	0.000	1	122.3043	2.839	3	123.7348	1.985	14	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-3:I-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	C[6](C[6]C[5,6]I)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]I)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	124.4660	1.158	2	124.4660	1.342	2	124.4660	1.342	2	123.7348	1.985	14	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(Br)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]Br)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]Br)(H){2|C<4>,2|H<1>,2|O<2>}	126.4100	0.068	2	126.4100	0.005	2	126.4100	0.005	2	124.0489	1.375	15	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	124.0489	1.375	15	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:N[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	123.6510	0.000	1	123.6510	0.000	1	123.6510	0.000	1	124.0489	1.375	15	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	124.9450	0.000	1	124.9450	0.000	1	124.9450	0.000	1	124.0489	1.375	15	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H)	C[6](C[6]C[6,6]CC)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	123.8785	0.390	2	123.8785	0.152	2	123.8785	0.152	2	124.0489	1.375	15	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H)	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.5810	0.000	1	123.0677	0.178	3	123.0677	0.178	3	124.0489	1.375	15	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H)	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.3110	0.014	2	123.0677	0.178	3	123.0677	0.178	3	124.0489	1.375	15	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]Br)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(Br)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]Br)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	122.9695	0.408	2	122.9695	0.166	2	122.9695	0.166	2	124.0489	1.375	15	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,1|N<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	123.8220	0.000	1	123.8220	0.000	1	123.5920	0.106	2	124.0489	1.375	15	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	123.3620	0.000	1	123.3620	0.000	1	123.5920	0.106	2	124.0489	1.375	15	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-3:I-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]I)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[5,6]I)(H){1|C<4>,2|H<1>,2|O<2>}	124.5560	0.000	1	124.5560	0.000	1	124.5560	0.000	1	124.0489	1.375	15	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]H)(COO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]H)(COO){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	117.7780	0.000	1	117.7780	0.000	1	117.7780	0.000	1	117.7780	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:1:	4:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,5,6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,5,6]C)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,5,6]C[5,6,6]C[5,5]O[5])(C[6]C[5,6]H)(CH3)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,5,6]C)(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,7|C<4>}	C[6](C[5,5,6]C[5,6,6]C[5,5]O[5])(C[6]C[5,6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	121.9160	0.000	1	121.9160	0.000	1	121.9160	0.000	1	121.9160	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	123.3070	0.000	1	123.3070	0.000	1	123.3070	0.000	1	123.6595	0.099	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	123.7770	0.257	3	123.7770	0.066	3	123.7770	0.066	3	123.6595	0.099	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:2:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-2:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH){1|C<3>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<4>}	122.6770	0.000	1	122.6770	0.000	1	122.6770	0.000	1	124.3527	2.313	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:2:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]C)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CH3)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2{2|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	125.1905	0.644	2	125.1905	0.415	2	125.1905	0.415	2	124.3527	2.313	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:2:	3:4:1:	C[5,6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(Br)	C[5,6](C[6]C[6]CH)(C[6]C[6]Br)(O[5]C[5])2	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(Br){3|H<1>,4|C<4>}	C[5,6](C[6]C[6]CH)(C[6]C[6]Br)(O[5]C[5])2{1|C<4>,1|O<2>,6|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|O<2>}	124.5440	0.557	4	124.5440	0.311	4	124.5440	0.311	4	124.5440	0.311	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:2:	3:4:4:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)	C[5,6](C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])2	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(CH3)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H){1|C<2>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])2{2|H<1>,6|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(CH3){2|O<2>,3|C<4>}	125.0180	0.000	1	125.0180	0.000	1	125.0180	0.000	1	125.0180	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.9820	0.000	1	121.9820	0.000	1	121.9820	0.000	1	123.5100	1.258	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6]H)(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6]H)(H){1|N<3>,3|C<3>,3|C<4>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	124.8482	2.241	4	124.8482	5.024	4	124.8482	5.024	4	123.5100	1.258	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5]C[5,6]CC)(N[5]C[5,6]C)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){2|C<3>,5|C<4>}	C[5,6](C[5]C[5,6]CC)(N[5]C[5,6]C)(O[6]C[6,6a])(C[6]C[6]H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.5020	0.453	2	123.5020	0.205	2	123.3941	0.673	33	123.5100	1.258	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	123.1330	0.000	1	123.1330	0.000	1	123.3941	0.673	33	123.5100	1.258	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.4687	0.836	28	123.4687	0.699	28	123.3941	0.673	33	123.5100	1.258	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	122.3720	0.349	2	122.3720	0.122	2	123.3941	0.673	33	123.5100	1.258	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH)	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(Br)	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(Br){1|H<1>,1|O<2>,3|C<4>}	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	125.2190	0.000	1	125.2190	0.000	1	125.2190	0.000	1	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	124.4340	0.000	1	124.0030	0.372	2	124.0030	0.372	2	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	123.5720	0.000	1	124.0030	0.372	2	124.0030	0.372	2	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.0730	0.000	1	124.0730	0.000	1	124.7869	0.820	23	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Br<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	125.3415	0.821	2	124.8569	0.905	20	124.7869	0.820	23	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	123.2627	0.383	4	124.8569	0.905	20	124.7869	0.820	23	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Cl<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	125.6336	0.421	5	124.8569	0.905	20	124.7869	0.820	23	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.8230	0.000	1	124.8569	0.905	20	124.7869	0.820	23	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.8840	0.586	4	124.8569	0.905	20	124.7869	0.820	23	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	125.4480	0.000	1	124.8569	0.905	20	124.7869	0.820	23	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.9250	0.000	1	124.8569	0.905	20	124.7869	0.820	23	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	125.2515	0.127	2	124.8569	0.905	20	124.7869	0.820	23	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.5250	0.000	1	124.4445	0.013	2	124.7869	0.820	23	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.3640	0.000	1	124.4445	0.013	2	124.7869	0.820	23	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(O){1|C<3>,1|N<2>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	119.8440	0.000	1	119.8440	0.000	1	119.8440	0.000	1	124.3878	2.436	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	125.9080	0.000	1	125.9080	0.000	1	125.9080	0.000	1	125.9080	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	124.0650	0.000	1	124.0650	0.000	1	124.0650	0.000	1	124.0650	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[3x5,6]C[5,6]C)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]H)(H){1|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[3x5,6]C[5,6]C)(C[6]C[5,6]H)(H){1|O<1>,1|O<2>,5|C<4>}	123.7710	0.000	1	123.7710	0.000	1	123.7710	0.000	1	123.7710	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:2:4:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-4:C[6]-3:N-3:	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]N)(H)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]H)(O[5]N[5])(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]N)(H){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]H)(O[5]N[5])(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.9420	0.000	1	121.9420	0.000	1	121.9420	0.000	1	121.9420	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:2:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(O[6]C[6])(COO){1|C<3>,1|H<1>,3|C<4>}	122.0940	0.139	2	122.0940	0.019	2	122.0940	0.019	2	122.0940	0.019	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:Br-1:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(Br)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(Br){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	123.4915	0.626	2	123.4915	0.392	2	123.4915	0.392	2	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H){2|Cl<1>,1|C<3>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	123.8730	0.000	1	123.8730	0.000	1	123.8730	0.000	1	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5200	0.000	1	121.5200	0.000	1	121.9090	0.342	4	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]H)(H){2|C<4>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.0387	0.642	3	122.0387	0.412	3	121.9090	0.342	4	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(H){1|C<2>,2|C<4>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	122.0630	0.000	1	122.0630	0.000	1	122.0630	0.000	1	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	120.6890	0.000	1	120.6890	0.000	1	120.6890	0.000	1	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(N[5]C[5]S)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,2|C<4>}	122.1230	0.000	1	122.1230	0.000	1	122.1230	0.000	1	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.3740	0.000	1	122.3740	0.000	1	122.3740	0.000	1	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.6440	0.000	1	123.6440	0.000	1	123.6440	0.000	1	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	122.9830	0.000	1	122.9830	0.000	1	121.9705	2.050	2	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	120.9580	0.000	1	120.9580	0.000	1	121.9705	2.050	2	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	113.6800	0.000	1	113.6800	0.000	1	113.6800	0.000	1	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.2645	0.353	2	115.2645	0.125	2	115.2645	0.125	2	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)(H){1|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.9020	0.000	1	121.9020	0.000	1	121.9020	0.000	1	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	121.2540	0.000	1	121.2540	0.000	1	121.2540	0.000	1	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|C<4>}	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<3>}	120.8160	0.000	1	120.8160	0.000	1	120.5460	0.302	3	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.9140	0.000	1	119.9140	0.000	1	120.5460	0.302	3	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|C<4>}	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<3>}	120.9080	0.000	1	120.9080	0.000	1	120.5460	0.302	3	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	Si[5,5]-4:C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]Si[5,5]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]Si[5,5]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H){4|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	120.5100	0.000	1	120.5100	0.000	1	120.5100	0.000	1	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	Si[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]Si[5,6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]Si[5,6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	120.4700	0.000	1	120.4700	0.000	1	120.4700	0.000	1	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,3|C<3>,4|C<4>}	115.9705	0.202	2	115.7423	0.176	3	115.7423	0.176	3	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,2|C<3>,5|C<4>}	115.2860	0.000	1	115.7423	0.176	3	115.7423	0.176	3	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	118.0650	0.000	1	118.0650	0.000	1	118.0650	0.000	1	120.3072	8.936	28	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H){1|C<4>,6|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	123.5870	0.288	2	123.5870	0.083	2	122.9670	1.195	3	121.1245	14.376	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	121.7270	0.000	1	121.7270	0.000	1	122.9670	1.195	3	121.1245	14.376	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:2:	C[5,6]-4:C[6]-3:O-1:	C[5]-4:C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	115.5970	0.000	1	115.5970	0.000	1	115.5970	0.000	1	121.1245	14.376	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a])(H)	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a])(H){2|C<4>,6|C<3>}	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H){6|C<3>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	121.6640	0.000	1	121.6640	0.000	1	121.6640	0.000	1	121.6640	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	124.8930	0.000	1	124.8930	0.000	1	124.8930	0.000	1	123.7890	2.438	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	122.6850	0.000	1	122.6850	0.000	1	122.6850	0.000	1	123.7890	2.438	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	124.2710	0.000	1	124.2710	0.000	1	124.2710	0.000	1	123.7463	0.223	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	123.4840	0.184	2	123.4840	0.034	2	123.4840	0.034	2	123.7463	0.223	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:4:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	125.9950	0.000	1	125.9950	0.000	1	125.9950	0.000	1	125.9950	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[3,5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[3,5,5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H)	C[6](C[6]C[3,5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[3,5,5,6]N[5]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6]C[5,6]H)(H){1|H<1>,2|C<4>,2|N<3>}	119.8640	0.000	1	119.8640	0.000	1	119.8640	0.000	1	123.3327	3.928	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]N[5,5]N[5])(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	C[5,6](C[3x5,6]C[5,5,6]N[5,5]N[5])(C[5]C[5]C)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	125.5520	0.000	1	125.5520	0.000	1	125.5520	0.000	1	123.3327	3.928	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[6]C[6]H)(N[5]C[5]S)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	123.9338	1.302	5	123.9338	1.695	5	123.9338	1.695	5	123.3327	3.928	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]H)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	122.5390	0.000	1	122.5390	0.000	1	122.5390	0.000	1	123.3327	3.928	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7640	0.000	1	120.7640	0.000	1	120.7640	0.000	1	123.3327	3.928	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[4,6]H)(H)	C[5,6](C[5,6]C[4,6]O[5]H)(C[6]C[6]H)(N[5]C[5]S)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[4,6]H)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[4,6]O[5]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H){1|Br<1>,1|N<3>,2|C<4>,3|H<1>}	124.9390	0.000	1	124.9390	0.000	1	124.9390	0.000	1	123.3327	3.928	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	4:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	118.5560	0.100	2	118.5560	0.010	2	118.5560	0.010	2	118.5560	0.010	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(COO)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(COO){2|C<3>,2|C<4>,4|H<1>}	122.0780	0.000	1	122.0780	0.000	1	122.0780	0.000	1	123.8322	5.590	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5]O[5]O)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]H)(CCH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6,6]C)(H){1|O<1>,2|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]H)(CCH){2|C<3>,3|H<1>,4|C<4>}	122.1195	0.028	2	122.1195	0.001	2	122.1195	0.001	2	123.8322	5.590	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[5,6,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]H)(C[5]C[5]2)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[5,6,6]C[5])(H){4|C<3>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]H)(C[5]C[5]2){1|C<4>,7|C<3>,8|H<1>}	126.4220	0.000	2	126.4220	0.000	2	126.4220	0.000	2	123.8322	5.590	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]C)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	125.3310	0.000	1	125.3310	0.000	1	125.3310	0.000	1	125.9970	0.887	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]C)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	126.6630	0.000	1	126.6630	0.000	1	126.6630	0.000	1	125.9970	0.887	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>}	120.5480	0.000	1	120.5480	0.000	1	120.5480	0.000	1	122.6026	1.282	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]C)(C[6]C[6]H)(O[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]C)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.7100	0.000	1	123.7100	0.000	1	123.7100	0.000	1	122.6026	1.282	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|Br<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	122.1820	0.645	2	122.1820	0.416	2	122.1820	0.416	2	122.6026	1.282	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]CC)(C[6]C[6]H)2(O[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5]C[5]CC)(C[6]C[6]H)2(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.0835	1.356	2	122.0835	1.837	2	122.9007	0.958	6	122.6026	1.282	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.3345	0.145	2	123.3092	0.317	4	122.9007	0.958	6	122.6026	1.282	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.2840	0.963	2	123.3092	0.317	4	122.9007	0.958	6	122.6026	1.282	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[3,5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[3,5,6]C[6a]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){4|C<3>,6|H<1>}	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	124.7300	0.000	1	124.7300	0.000	1	124.7300	0.000	1	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	C[6](C[6]C[6,6]C[6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,5|C<3>}	119.2580	0.000	1	119.2580	0.000	1	119.2580	0.000	1	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|O<1>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.6075	0.285	2	123.6075	0.081	2	123.6075	0.081	2	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.4180	0.000	1	124.4180	0.000	1	124.1763	0.082	3	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.8590	0.000	1	124.0555	0.077	2	124.1763	0.082	3	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|O<1>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.2520	0.000	1	124.0555	0.077	2	124.1763	0.082	3	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(C[6]C[6]H){5|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	125.6110	0.670	2	125.6110	0.449	2	125.6110	0.449	2	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	123.1335	0.151	2	123.1335	0.023	2	123.1335	0.023	2	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	123.9625	0.151	2	123.9625	0.023	2	123.9625	0.023	2	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5]CH)(C[6]C[6]H)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.3410	1.080	2	122.3410	1.167	2	122.8695	0.414	6	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]O){3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.1690	0.243	2	123.1690	0.059	2	122.8695	0.414	6	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.0985	0.036	2	123.0985	0.001	2	122.8695	0.414	6	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]O)2(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(COO){2|C<3>,3|H<1>}	C[6](C[6]C[5,6]O)2(H){1|H<1>,2|C<3>,2|C<4>}	115.8320	0.000	1	115.8320	0.000	1	115.8320	0.000	1	123.1098	4.814	20	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	123.2090	0.000	1	123.2090	0.000	1	123.2090	0.000	1	123.2090	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	125.5658	0.374	4	125.5658	0.140	4	125.5658	0.140	4	125.1189	0.295	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>}	124.6220	0.006	2	124.6220	0.000	2	124.6220	0.000	2	125.1189	0.295	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)2{2|C<4>,6|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,2|C<4>}	124.7220	0.192	2	124.7220	0.037	2	124.7220	0.037	2	125.1189	0.295	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	123.7440	0.000	1	123.7440	0.000	1	123.7440	0.000	1	118.5908	8.371	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]O[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5]O[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H){1|C<4>,1|H<1>,2|C<3>}	117.3025	0.312	4	117.3025	0.097	4	117.3025	0.097	4	118.5908	8.371	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[6]C[6]ClC)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.6205	0.418	4	117.6205	0.175	4	117.6205	0.175	4	117.6205	0.175	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<4>}	123.8100	0.000	1	123.8100	0.000	1	123.8100	0.000	1	123.3600	11.595	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	125.8550	0.000	1	125.8550	0.000	1	125.8550	0.000	1	123.3600	11.595	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH){2|C<3>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	125.1570	0.000	1	125.1570	0.000	1	124.6751	0.246	8	123.3600	11.595	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	123.6630	0.000	1	123.6630	0.000	1	124.6751	0.246	8	123.3600	11.595	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	124.2680	0.000	1	124.7635	0.084	6	124.6751	0.246	8	123.3600	11.595	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	125.0910	0.000	1	124.7635	0.084	6	124.6751	0.246	8	123.3600	11.595	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	124.8055	0.140	4	124.7635	0.084	6	124.6751	0.246	8	123.3600	11.595	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5,6a]C)(C[6]C[6]H)(O)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,6a]C)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH){2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|O<2>}	119.3560	0.000	1	119.3560	0.000	1	119.3560	0.000	1	123.3600	11.595	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(O)	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(O){1|C<3>,5|C<4>}	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,6|C<4>}	113.8980	0.000	1	113.8980	0.000	1	113.8980	0.000	1	123.3600	11.595	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	3:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]O)(H)	C[5,6](C[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(CC3)	C[6](C[6]C[5,6]H)(C[6]N[5,6]O)(OC)	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|N<3>}	C[5,6](C[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(CC3){2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[5,6]O)(OC){2|C<3>,2|C<4>}	123.0480	0.000	1	123.0480	0.000	1	123.0480	0.000	1	120.4563	5.170	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	3:3:2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH){1|C<3>,2|O<2>,5|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,2|H<1>}	119.1605	0.515	2	119.1605	0.266	2	119.1605	0.266	2	120.4563	5.170	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO)	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]C)(O){1|C<3>,1|D<1>,1|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO){1|H<1>,1|N<3>,3|C<4>}	117.0210	0.000	1	117.0210	0.000	1	117.0210	0.000	1	117.0210	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[3x5,6]C[5,6]C)(C[6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[3x5,6]C[5,6]C)(C[6]C[5,6]H)(H){1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]H)(H){1|C<3>,5|C<4>}	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	122.3870	0.354	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:3:4:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(H){2|C<3>,3|C<4>}	122.8080	0.000	1	122.8080	0.000	1	122.8080	0.000	1	122.3870	0.354	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H){4|C<3>,7|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	125.6830	0.000	1	125.6830	0.000	1	125.6830	0.000	1	125.6830	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:4:3:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	119.8870	0.000	1	119.8870	0.000	1	119.8870	0.000	1	119.8870	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:3:4:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	124.2266	0.444	5	124.2266	0.198	5	124.2266	0.198	5	124.2266	0.198	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:2:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[5]-4:O[5]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	123.8660	0.000	1	123.8660	0.000	1	123.8660	0.000	1	119.4155	39.614	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:2:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	114.9650	0.000	1	114.9650	0.000	1	114.9650	0.000	1	119.4155	39.614	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:2:3:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]C)(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>}	115.0590	0.000	1	115.0590	0.000	1	115.0590	0.000	1	115.0590	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:2:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3){1|H<1>,1|O<1>,2|C<4>}	123.3505	0.299	2	123.3505	0.089	2	123.3505	0.089	2	123.3505	0.089	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.3470	0.000	1	123.3470	0.000	1	123.3470	0.000	1	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:Si[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]Si[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]C)(H)	C[6](C[5,6]C[5,6,6]Si[5]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]C)(H){1|Si<4>,1|C<4>,1|H<1>,1|N<3>}	120.0310	0.000	1	120.0310	0.000	1	120.0310	0.000	1	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	117.9080	0.000	1	117.9080	0.000	1	122.1090	9.832	5	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	125.2185	0.105	2	125.2185	0.011	2	122.1090	9.832	5	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7170	0.000	1	120.7170	0.000	1	122.1090	9.832	5	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]S)(C[5]C[5]Cl2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){2|Cl<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]S)(C[5]C[5]Cl2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4830	0.000	1	121.4830	0.000	1	122.1090	9.832	5	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	118.7790	0.000	1	118.7790	0.000	1	119.8795	2.422	2	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	120.9800	0.000	1	120.9800	0.000	1	119.8795	2.422	2	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:P[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(P[5]C[6a]N[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(P[5]C[6a]N[5]O)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|P<4>,2|H<1>}	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5,3x6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6]H)(O){3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[6]C[5,3x6]H)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	117.5750	0.000	1	117.5750	0.000	1	117.5750	0.000	1	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	117.7820	0.000	1	117.7820	0.000	1	117.7820	0.000	1	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,7|C<4>}	117.0007	0.067	3	117.0007	0.005	3	117.0007	0.005	3	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.4610	0.000	1	117.4610	0.000	1	115.8790	6.944	6	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H){3|C<3>,4|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	114.3805	0.069	2	114.3805	0.005	2	115.8790	6.944	6	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	118.3550	0.000	1	118.3550	0.000	1	115.8790	6.944	6	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	118.5910	0.000	1	118.5910	0.000	1	115.8790	6.944	6	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	112.1060	0.000	1	112.1060	0.000	1	115.8790	6.944	6	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:S[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H){1|C<3>,7|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	117.9420	0.000	1	117.9420	0.000	1	117.9420	0.000	1	118.8847	10.393	23	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	124.4875	0.172	2	124.4875	0.030	2	124.4875	0.030	2	124.4875	0.030	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[5,6]S)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O){1|S<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[5,6]S)(CC[6a]O){2|H<1>,3|C<4>}	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6,6]N[5,6,6]C[6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|H<1>}	C[5,6](C[5,6,6]N[5,6,6]C[6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	121.5620	0.000	1	121.5620	0.000	1	121.5620	0.000	1	118.5498	8.129	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	119.7400	0.000	1	119.7400	0.000	1	119.7400	0.000	1	118.5498	8.129	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]C)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]C)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O)(CH3){2|H<1>,2|O<2>,4|C<4>}	118.0400	0.000	1	118.0400	0.000	1	118.0400	0.000	1	118.5498	8.129	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	114.8570	0.000	1	114.8570	0.000	1	114.8570	0.000	1	118.5498	8.129	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	124.4458	0.334	4	124.4458	0.111	4	124.4458	0.111	4	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	124.7750	0.000	1	124.7750	0.000	1	124.5435	0.107	2	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	124.3120	0.000	1	124.3120	0.000	1	124.5435	0.107	2	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	122.1230	0.000	1	122.1230	0.000	1	122.9545	1.383	2	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	123.7860	0.000	1	123.7860	0.000	1	122.9545	1.383	2	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:Br-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br){1|C<3>,2|C<4>,2|H<1>}	122.1670	0.000	1	122.1670	0.000	1	122.1260	0.003	2	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:Br-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br){1|C<3>,2|C<4>,2|H<1>}	122.0850	0.000	1	122.0850	0.000	1	122.1260	0.003	2	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	118.2260	0.000	1	118.2260	0.000	1	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	124.3480	0.000	1	122.0478	5.141	4	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	120.0920	0.000	1	122.0478	5.141	4	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	121.8755	2.500	2	122.0478	5.141	4	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	120.9665	0.842	2	120.9665	0.709	2	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	124.2770	0.000	1	122.6950	5.005	2	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	121.1130	0.000	1	122.6950	5.005	2	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	119.1830	0.000	1	119.1830	0.000	1	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	118.9580	0.000	1	118.9580	0.000	1	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	124.0670	0.191	2	123.8827	0.120	3	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	123.5140	0.000	1	123.8827	0.120	3	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H){2|C<3>,3|C<4>,3|H<1>}	120.1210	0.049	2	120.1210	0.002	2	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	119.7090	0.000	1	119.7090	0.000	1	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	122.5920	0.000	1	122.5920	0.000	1	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	125.0980	0.000	1	125.0980	0.000	1	121.6405	4.798	19	122.3518	4.492	29	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,2|H<1>}	123.5760	0.000	1	123.5760	0.000	1	123.5760	0.000	1	121.7625	6.578	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[5,6]HH)(C[6]C[5,6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H){1|C<3>,1|S<2>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5,6]HH)(C[6]C[5,6]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	119.9490	0.000	1	119.9490	0.000	1	119.9490	0.000	1	121.7625	6.578	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){2|N<3>,3|C<4>,3|H<1>}	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,6|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	124.5730	0.000	1	123.6253	1.705	3	124.1526	1.501	5	123.6324	1.862	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){2|N<3>,3|C<4>,3|H<1>}	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>,6|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	123.1515	1.436	2	123.6253	1.705	3	124.1526	1.501	5	123.6324	1.862	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,6|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	125.4480	0.000	1	124.9435	0.509	2	124.1526	1.501	5	123.6324	1.862	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,5|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	124.4390	0.000	1	124.9435	0.509	2	124.1526	1.501	5	123.6324	1.862	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,5|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	122.7970	0.000	1	122.7970	0.000	1	122.7970	0.000	1	123.6324	1.862	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,2|H<1>}	121.8670	0.000	1	121.8670	0.000	1	121.8670	0.000	1	123.6324	1.862	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|O<2>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[5,6]H)(H){2|H<1>,3|C<4>}	126.4315	0.312	2	126.4315	0.097	2	126.4315	0.097	2	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	114.3420	0.000	1	114.3420	0.000	1	114.3420	0.000	1	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)	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]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H){2|H<1>,3|C<3>,3|C<4>}	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]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	115.1640	0.000	1	115.1640	0.000	1	115.1640	0.000	1	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H){2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[5,6]H)(H){1|H<1>,4|C<4>}	120.8970	0.000	1	120.8970	0.000	1	120.7990	11.910	3	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|H<1>,4|C<4>}	117.3000	0.000	1	117.3000	0.000	1	120.7990	11.910	3	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]CC)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]CC)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){2|H<1>,3|C<4>}	124.2000	0.000	1	124.2000	0.000	1	120.7990	11.910	3	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	124.1030	0.000	1	123.9583	0.550	3	123.6343	0.787	4	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	123.8860	1.034	2	123.9583	0.550	3	123.6343	0.787	4	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	122.6620	0.000	1	122.6620	0.000	1	123.6343	0.787	4	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H){2|H<1>,3|C<4>}	121.7320	0.000	1	121.7320	0.000	1	121.7320	0.000	1	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]SiH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]SiH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	125.4540	0.000	1	125.4540	0.000	1	121.7107	10.545	3	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	119.8390	0.267	2	119.8390	0.071	2	121.7107	10.545	3	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	125.6400	0.000	1	125.6400	0.000	1	125.6400	0.000	1	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	124.8460	0.000	1	124.8460	0.000	1	122.3600	12.360	2	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H){2|C<3>,3|C<4>,3|H<1>}	119.8740	0.000	1	119.8740	0.000	1	122.3600	12.360	2	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	123.2155	0.149	2	123.2155	0.022	2	122.4170	4.463	4	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	123.9440	0.000	1	123.9440	0.000	1	122.4170	4.463	4	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	119.2930	0.000	1	119.2930	0.000	1	122.4170	4.463	4	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	120.3450	0.000	1	120.3450	0.000	1	119.7890	0.304	4	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[5,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	119.3645	0.394	2	119.6037	0.249	3	119.7890	0.304	4	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[3]C[6]H)(C[6]C[5,6]H)(H){2|C<3>,2|H<1>,4|C<4>}	120.0820	0.000	1	119.6037	0.249	3	119.7890	0.304	4	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:I-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H){1|C<3>,3|C<4>,4|H<1>}	121.8770	0.000	1	122.6327	1.596	3	122.6327	1.596	3	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:I-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	123.0105	1.528	2	122.6327	1.596	3	122.6327	1.596	3	121.8990	9.477	30	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	123.3960	0.000	1	123.3960	0.000	1	123.3960	0.000	1	123.3960	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[4,6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(CHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(CHO){1|O<2>,2|H<1>,4|C<4>}	124.5960	0.000	1	124.5960	0.000	1	125.0567	0.322	3	124.1205	3.721	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[4,6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]H)(COS)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]H)(COS){1|O<2>,2|H<1>,4|C<4>}	125.2870	0.571	2	125.2870	0.326	2	125.0567	0.322	3	124.1205	3.721	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.3120	0.000	1	121.3120	0.000	1	121.3120	0.000	1	124.1205	3.721	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]C)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,2|O<1>,6|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(CH3){2|H<1>,3|C<4>}	115.7730	0.000	1	115.7730	0.000	1	115.7730	0.000	1	117.9710	9.662	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	120.1690	0.000	1	120.1690	0.000	1	120.1690	0.000	1	117.9710	9.662	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	121.3000	0.000	1	121.3000	0.000	1	121.3000	0.000	1	120.5582	9.392	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){2|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.8100	0.000	1	124.8100	0.000	1	124.3205	0.256	4	120.5582	9.392	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|S<4>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.2250	0.000	1	124.2250	0.000	1	124.3205	0.256	4	120.5582	9.392	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){2|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	124.5940	0.000	1	124.5940	0.000	1	124.3205	0.256	4	120.5582	9.392	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	123.6530	0.000	1	123.6530	0.000	1	124.3205	0.256	4	120.5582	9.392	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5])	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H){1|N<2>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5]){2|Br<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br){1|Br<1>,1|O<2>,2|C<4>}	119.0117	0.378	3	119.0117	0.143	3	119.0117	0.143	3	120.5582	9.392	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5])	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|O<2>,3|C<4>}	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	120.5582	9.392	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(O){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	116.5370	0.000	1	116.5370	0.000	1	116.5370	0.000	1	120.5582	9.392	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(O)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	117.4175	1.139	2	117.4175	1.298	2	117.4175	1.298	2	120.5582	9.392	12	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:2:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]O)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]O)(O){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC){1|H<1>,1|O<2>,3|C<4>}	116.3570	0.000	1	116.3570	0.000	1	116.3570	0.000	1	116.3570	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:S-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]S)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	124.4760	0.000	1	124.4760	0.000	1	124.4760	0.000	1	117.7997	33.505	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O)	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH)	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	114.7360	0.000	1	114.7360	0.000	1	114.4615	0.151	2	117.7997	33.505	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O)	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CH3){1|O<2>,4|C<4>}	114.1870	0.000	1	114.1870	0.000	1	114.4615	0.151	2	117.7997	33.505	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	119.0840	0.000	1	119.0840	0.000	1	119.0840	0.000	1	123.1950	12.822	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]2O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	124.8670	0.000	1	124.8670	0.000	1	124.8670	0.000	1	123.1950	12.822	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SC)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SC){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|S<2>,2|C<4>,2|H<1>}	125.6340	0.000	1	125.6340	0.000	1	125.6340	0.000	1	123.1950	12.822	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:2:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(H){1|O<2>,4|C<4>}	124.0080	0.000	1	124.0080	0.000	1	124.0080	0.000	1	124.0080	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	124.4670	0.000	1	124.4670	0.000	1	124.4670	0.000	1	122.5051	7.111	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]O[6]O)(H){1|C<3>,2|C<4>}	122.3020	1.056	2	122.3020	1.116	2	122.3020	1.116	2	122.5051	7.111	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]2N[5])(C[5]C[5]HH)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]2N[5])(C[5]C[5]HH)(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	123.7782	0.457	4	123.7782	0.208	4	123.7782	0.208	4	122.5051	7.111	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	124.7170	0.000	1	124.7170	0.000	1	124.7170	0.000	1	122.5051	7.111	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|C<3>,1|H<1>,3|C<4>}	116.1130	0.000	1	116.1130	0.000	1	116.1130	0.000	1	122.5051	7.111	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]H)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]H)(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,3|C<4>}	120.0370	0.000	1	120.0370	0.000	1	120.0370	0.000	1	122.5051	7.111	10	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:2:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5,6](C[5]C[5]CH)(C[5]O[5]CH)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]CH)(C[5]O[5]CH)(C[6]C[6]H)2{1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|C<3>,1|O<2>,2|C<4>}	122.8820	0.619	2	122.8820	0.384	2	122.8820	0.384	2	122.8820	0.384	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:N[5]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]N[5])(C[6]C[6,6]C[6a])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]N[5])(C[6]C[6,6]C[6a])(H){3|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	123.8680	0.000	1	123.8680	0.000	1	123.8680	0.000	1	123.8680	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,5,6]C[5]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]C[5,5,6]HH)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5,5,6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]C[5,5,6]HH)(C[6]C[6]H)2{2|C<4>,8|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	125.0475	0.135	2	125.0475	0.018	2	125.0475	0.018	2	124.5688	4.927	11	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	125.7120	0.098	2	125.7120	0.010	2	125.2725	0.206	8	124.5688	4.927	11	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	125.1165	0.534	4	125.1165	0.286	4	125.2725	0.206	8	124.5688	4.927	11	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	125.1450	0.242	2	125.1450	0.058	2	125.2725	0.206	8	124.5688	4.927	11	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[6,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(CH3)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	117.9820	0.000	1	117.9820	0.000	1	117.9820	0.000	1	124.5688	4.927	11	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[4,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[4,5]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	C[6](C[5,6]C[4,5]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){1|C<3>,3|C<4>}	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	123.6090	2.498	11	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	124.7990	0.000	1	124.7990	0.000	1	124.7800	0.001	2	123.6090	2.498	11	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	124.7610	0.000	1	124.7610	0.000	1	124.7800	0.001	2	123.6090	2.498	11	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,7|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	124.0945	1.595	2	124.0945	2.543	2	123.8594	0.407	8	123.6090	2.498	11	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H){2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	123.7123	0.161	3	123.7123	0.026	3	123.8594	0.407	8	123.6090	2.498	11	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	123.8497	0.202	3	123.8497	0.041	3	123.8594	0.407	8	123.6090	2.498	11	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:4:4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]H)(CCO)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]H)(CCO){2|C<4>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCO){1|C<3>,2|C<4>,2|H<1>}	126.4720	0.000	1	126.4720	0.000	1	126.4720	0.000	1	126.4720	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]N[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,3|C<4>}	124.1840	0.107	2	124.1840	0.012	2	124.1840	0.012	2	123.5155	1.526	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	124.0260	0.000	1	124.0260	0.000	1	124.0260	0.000	1	123.5155	1.526	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	123.5155	1.526	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(COO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(COO){2|C<4>,2|H<1>,3|C<3>}	124.4050	0.000	2	124.4050	0.000	2	124.4050	0.000	2	124.4050	0.000	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6a]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5]2)(C[5]C[5]CC)(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6a]H)(H){3|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6a]C[5]2)(C[5]C[5]CC)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	127.4120	1.031	2	127.4120	1.063	2	127.4120	1.063	2	120.8396	13.588	16	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]2H)(C[5,6]C[5,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]2H)(C[5,6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){5|C<4>}	123.2680	0.243	2	123.2680	0.059	2	123.2680	0.059	2	120.8396	13.588	16	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){5|C<4>}	119.6540	0.040	2	119.6540	0.002	2	119.6540	0.002	2	120.8396	13.588	16	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO)	C[6](C[6]C[3x6]C[6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO){1|C<3>,6|H<1>}	C[6](C[6]C[3x6]C[6])(C[6]C[5,6]H)(H){1|H<1>,6|C<4>}	122.9640	0.000	1	122.9640	0.000	1	121.9985	0.719	4	120.8396	13.588	16	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	120.9520	0.000	1	120.9520	0.000	1	121.9985	0.719	4	120.8396	13.588	16	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]O[6]O)(H){3|C<4>}	121.7870	0.000	1	121.7870	0.000	1	121.9985	0.719	4	120.8396	13.588	16	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]N)(C[5]C[6a]C[5]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]N)(C[5]C[6a]C[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){4|C<4>}	122.2910	0.000	1	122.2910	0.000	1	121.9985	0.719	4	120.8396	13.588	16	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(O){3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,4|C<4>}	119.7855	0.556	2	119.7855	0.310	2	119.7855	0.310	2	120.8396	13.588	16	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]O)(H){1|H<1>,7|C<4>}	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	120.8396	13.588	16	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(O)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){5|C<4>}	115.4950	0.195	2	115.4950	0.038	2	115.4950	0.038	2	120.8396	13.588	16	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	120.8396	13.588	16	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	118.6800	0.000	1	118.6800	0.000	1	118.6800	0.000	1	118.6800	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[3x5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6]-3:C-4:	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]C)(O)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]C)(O){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5]C[5]HH)(C[6]C[6]O)(CCHH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH){1|O<2>,5|C<4>}	121.7720	0.000	1	121.7720	0.000	1	121.7720	0.000	1	121.7720	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H){1|H<1>,4|C<4>}	123.9270	0.000	1	123.9270	0.000	1	124.7508	0.583	4	123.7850	1.421	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|O<2>,1|S<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	125.0253	0.649	3	125.0253	0.421	3	124.7508	0.583	4	123.7850	1.421	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,2|S<2>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	122.7710	0.000	1	122.7710	0.000	1	122.8192	0.246	4	123.7850	1.421	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	122.5010	0.255	2	122.5010	0.065	2	122.8192	0.246	4	123.7850	1.421	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SCOO)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SCOO){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,2|H<1>}	123.5040	0.000	1	123.5040	0.000	1	122.8192	0.246	4	123.7850	1.421	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:4:2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OC){2|H<1>,3|C<4>}	124.3480	0.000	1	124.3480	0.000	1	124.3480	0.000	1	124.3480	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]H)(H){1|H<1>,4|C<4>}	123.5385	0.349	2	123.5385	0.122	2	123.5385	0.122	2	123.0738	0.338	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	122.7290	0.000	1	122.7290	0.000	1	122.7290	0.000	1	123.0738	0.338	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CH)(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){5|C<4>}	122.4890	0.000	1	122.4890	0.000	1	122.4890	0.000	1	123.0738	0.338	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO)	C[6](C[3x6]C[6,6]3)(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]C[6])(H){1|C<3>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,5|H<1>}	C[6](C[3x6]C[6,6]3)(C[6]C[5,6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	122.8130	0.000	1	122.8130	0.000	1	122.8130	0.000	1	121.6290	2.804	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]C)(O)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[5,6]O)(CCO)	C[6](C[5,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]C)(O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6,6]H)(C[6]C[6]O)(CH3){1|O<2>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[5,6]O)(CCO){1|C<3>,1|O<2>,6|C<4>}	120.4450	0.000	1	120.4450	0.000	1	120.4450	0.000	1	121.6290	2.804	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:I-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]I)(O)	C[5,6](C[6]C[6a]O[6]H)(C[5]C[5]HH)2(C[6]C[6]O)	C[6](C[6]C[6a]O[6])(C[6]C[5,6]O)(I)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]I)(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6a]O[6]H)(C[5]C[5]HH)2(C[6]C[6]O){1|I<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6])(C[6]C[5,6]O)(I){2|C<3>,3|C<4>}	116.1260	0.000	1	116.1260	0.000	1	116.1260	0.000	1	116.1260	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){5|C<4>}	125.1495	0.477	2	125.1495	0.228	2	125.1495	0.228	2	125.1495	0.228	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	121.2005	0.814	2	120.6780	1.150	3	117.5225	1.248	37	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	119.6330	0.000	1	120.6780	1.150	3	117.5225	1.248	37	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	117.2410	0.000	1	117.3330	0.243	16	117.5225	1.248	37	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	117.4802	0.466	11	117.3330	0.243	16	117.5225	1.248	37	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	116.5280	0.000	1	117.3330	0.243	16	117.5225	1.248	37	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,6|C<3>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	117.0923	0.450	3	117.3330	0.243	16	117.5225	1.248	37	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	117.6000	0.000	1	117.6000	0.000	1	117.5225	1.248	37	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,4|C<4>,5|C<3>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	117.4475	0.397	2	116.9675	0.288	10	117.5225	1.248	37	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	116.8475	0.515	8	116.9675	0.288	10	117.5225	1.248	37	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	117.2090	0.090	5	117.2090	0.008	5	117.5225	1.248	37	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,2|O<1>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	118.8670	0.000	1	118.8670	0.000	1	117.5225	1.248	37	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<4>,5|C<3>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	116.7840	0.000	1	116.7840	0.000	1	117.5225	1.248	37	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|N<3>,6|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,6|C<3>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	117.6040	0.000	1	117.6040	0.000	1	117.6040	0.000	1	117.5247	1.215	38	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){2|O<2>,3|C<4>}	116.7270	0.000	1	117.6967	1.578	3	117.6967	1.578	3	117.6967	1.578	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){2|O<2>,3|C<4>}	118.1815	1.322	2	117.6967	1.578	3	117.6967	1.578	3	117.6967	1.578	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:1:	6:3:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5x3,6x5,20x6]-6:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H)	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H){1|C<6>,2|C<3>,2|C<4>,2|H<1>,4|B<6>}	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,5|B<6>,7|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H){1|C<6>,2|H<1>,4|C<3>}	124.6403	0.192	3	124.6403	0.037	3	124.6403	0.037	3	124.6403	0.037	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:2:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){2|O<1>,4|C<3>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	122.2980	1.799	2	122.2980	3.236	2	122.2447	1.627	3	122.2447	1.627	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:2:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){2|C<3>,2|O<2>}	122.1380	0.000	1	122.1380	0.000	1	122.2447	1.627	3	122.2447	1.627	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:2:4:3:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5]-3:O[5]-2:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.4979	1.115	19	122.4979	1.243	19	122.4979	1.243	19	122.4979	1.243	19	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:2:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-2:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NC)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NC){1|N<3>,3|C<3>}	125.7830	0.061	2	125.7830	0.004	2	125.7830	0.004	2	125.7830	0.004	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6]C[5]2)(C[6]O[6]N)(CN)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	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[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){1|C<4>,3|C<3>}	123.6060	0.000	1	123.6060	0.000	1	123.6060	0.000	1	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){4|C<3>}	124.5990	0.000	1	124.5990	0.000	1	124.5570	0.004	2	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){1|C<4>,3|C<3>}	124.5150	0.000	1	124.5150	0.000	1	124.5570	0.004	2	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN){1|N<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|N<2>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<2>,3|C<3>}	125.3830	0.000	1	125.3830	0.000	1	125.3830	0.000	1	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	123.0225	0.091	2	123.2058	0.059	5	123.2058	0.059	5	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	123.3280	0.240	3	123.2058	0.059	5	123.2058	0.059	5	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<2>,3|C<3>}	125.5335	0.074	2	125.0788	0.599	6	125.0788	0.599	6	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<3>,3|C<3>}	124.6840	1.008	3	125.0788	0.599	6	125.0788	0.599	6	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<2>,3|C<3>}	125.3540	0.000	1	125.0788	0.599	6	125.0788	0.599	6	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	123.8620	0.000	1	123.8620	0.000	1	123.2816	0.508	7	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	122.8373	0.884	3	123.2128	0.658	5	123.2816	0.508	7	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	123.7760	0.110	2	123.2128	0.658	5	123.2816	0.508	7	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){4|C<3>}	123.0450	0.000	1	123.0450	0.000	1	123.2816	0.508	7	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	123.7950	0.000	1	123.6285	0.172	4	123.6285	0.172	4	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	123.3370	0.379	2	123.6285	0.172	4	123.6285	0.172	4	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	124.0450	0.000	1	123.6285	0.172	4	123.6285	0.172	4	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-2:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	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[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<3>,3|C<3>}	124.9830	0.000	1	124.9830	0.000	1	124.9830	0.000	1	123.9657	0.951	27	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:N-2:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(NC)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(NC){2|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N){2|H<1>,7|C<3>}	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	118.4880	0.065	2	118.4880	0.004	2	118.4880	0.004	2	118.4313	0.012	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:N-2:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(NC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]N)(H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(NC){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N){2|H<1>,9|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]N)(H){4|C<3>}	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	118.4313	0.012	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H){4|C<3>}	121.5910	0.000	1	121.5910	0.000	1	121.5910	0.000	1	123.5290	1.801	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	N[6]-3:C[6]-3:N-3:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH){1|C<4>,5|C<3>}	124.1750	0.444	3	124.1750	0.197	3	124.1750	0.197	3	123.5290	1.801	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6]-3:C-2:	C[5,5a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6a]O[6])(CN)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(O[6]C[6])	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[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,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>}	123.7270	0.000	1	123.7270	0.000	1	123.7270	0.000	1	123.7270	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]H)(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(H){1|C<4>,1|O<2>,2|C<3>}	123.5440	0.000	1	123.5440	0.000	1	123.5440	0.000	1	123.5440	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(C[6]C[6]O)2	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC){1|O<1>,1|O<2>,1|P<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(C[6]C[6]O)2{1|B<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	123.6430	0.262	2	123.6430	0.068	2	123.6430	0.068	2	123.6430	0.068	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:4:3:3:	3:3:2:	C[5,6]-4:C[6]-3:N-2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-2:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	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){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	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>}	115.2320	0.000	1	115.5096	1.023	7	115.5096	1.023	7	115.5096	1.023	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:4:3:3:	3:3:2:	C[5,6]-4:C[6]-3:N-2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-2:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	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){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	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>}	115.5558	1.100	6	115.5096	1.023	7	115.5096	1.023	7	115.5096	1.023	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	N[5a,6]-3:C[6]-3:N-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<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>}	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,2|C<4>}	123.1340	0.000	1	123.1340	0.000	1	123.1340	0.000	1	123.1340	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:2:3:1:	3:4:3:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,2|H<1>}	123.3010	0.115	2	123.3010	0.013	2	123.3010	0.013	2	123.3010	0.013	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:2:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:O[5]-2:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO){3|C<3>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.6770	0.000	1	123.6770	0.000	1	123.6770	0.000	1	123.6770	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|O<2>,4|C<4>}	123.3390	0.045	2	123.3390	0.002	2	123.3390	0.002	2	123.3390	0.002	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:3:2:4:	3:3:4:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	123.9940	0.000	1	123.9940	0.000	1	123.9940	0.000	1	123.9940	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5]HH)(C[6]C[6]O)2(O[5]C[5])	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]O)2(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.7270	0.371	2	122.7270	0.137	2	122.7270	0.137	2	122.7270	0.137	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|O<1>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.6295	0.356	2	123.6295	0.127	2	123.6295	0.127	2	123.5083	0.107	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	123.2660	0.000	1	123.2660	0.000	1	123.2660	0.000	1	123.5083	0.107	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OC)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	120.9245	0.005	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5,6]O)2(H){1|H<1>,2|C<3>,2|C<4>}	120.8760	0.000	1	120.8760	0.000	1	120.8760	0.000	1	120.9245	0.005	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:S-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(SC[6a])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H)	C[6](C[6]C[5,6]O)(C[6]C[5,6]S)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(SC[6a]){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H){2|C<3>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[5,6]S)(CC[6a]O){2|H<1>,3|C<4>}	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	124.9650	0.000	1	124.9650	0.000	1	124.9650	0.000	1	124.9650	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(COO){2|C<4>,2|H<1>,3|C<3>}	124.4500	0.000	1	124.4500	0.000	1	124.4500	0.000	1	124.4500	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:2:	4:4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(OC)	C[5,6](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6]C[5]O[6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	C[5,6](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[6]C[6]O)(C[6]O[6]O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]O[6]C)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.8825	0.291	2	117.8825	0.084	2	117.8825	0.084	2	117.8825	0.084	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:2:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO){1|O<2>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	121.8415	0.527	2	121.8415	0.278	2	121.8415	0.278	2	121.8415	0.278	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:2:2:	3:3:1:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO)	C[5,6](C[6]C[6]N)2(O[5]C[5])2	C[6](C[6]C[5,6]N)(C[6]C[6]N)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO){1|C<3>,2|C<4>,2|N<3>}	C[5,6](C[6]C[6]N)2(O[5]C[5])2{1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[5,6]N)(C[6]C[6]N)(H){1|C<3>,1|H<1>,2|O<2>}	125.4055	0.226	2	125.4055	0.051	2	125.4055	0.051	2	125.4055	0.051	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:2:2:	4:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]C[6a])(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(C[6a]C[6a]2){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]C[6a])(H){2|C<4>,2|O<2>,4|C<3>}	120.4115	0.721	2	120.4115	0.519	2	120.4115	0.519	2	120.4115	0.519	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	121.9832	0.805	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	121.5700	0.000	1	121.5700	0.000	1	121.5700	0.000	1	121.9832	0.805	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	121.7800	0.000	1	121.7800	0.000	1	121.7800	0.000	1	121.9832	0.805	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6]-3:N-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH){1|C<4>,3|C<3>}	123.2950	0.000	1	123.2950	0.000	1	123.2950	0.000	1	121.9832	0.805	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:2:4:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	121.9500	0.309	3	122.2523	0.429	4	122.4038	0.397	6	122.4038	0.397	6	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:2:4:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	123.1590	0.000	1	122.2523	0.429	4	122.4038	0.397	6	122.4038	0.397	6	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:2:4:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	122.7070	0.651	2	122.7070	0.423	2	122.4038	0.397	6	122.4038	0.397	6	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5,5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6])	C[6](C[6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H){1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6]){3|H<1>,3|N<2>,7|C<3>}	C[6](C[6]C[5,6]C[5])(C[6]C[6,6a]H)(H){1|N<3>,2|N<2>,3|C<3>}	117.7090	0.000	1	117.7090	0.000	1	117.7090	0.000	1	120.3830	4.553	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O){1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|H<1>,5|C<3>}	121.9975	0.245	2	121.9975	0.060	2	121.9975	0.060	2	120.3830	4.553	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6a]-3:N[5,5a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6](C[6]C[5,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H){3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){10|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6,6a]H)(H){1|N<3>,5|C<3>}	117.1730	0.000	1	117.1730	0.000	1	117.1730	0.000	1	120.3830	4.553	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[5]-3:C[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[5a,6]O)(H)	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[5a,6]O)(H){6|C<3>}	122.4760	0.000	1	122.4760	0.000	1	122.4760	0.000	1	120.3830	4.553	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[5]-3:C[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[6,6a]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6,6a]O)(H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6,6a]O)(H){6|C<3>}	120.6640	0.233	2	120.6640	0.054	2	120.6640	0.054	2	120.3830	4.553	7	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OC)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC){1|N<3>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OC){1|H<1>,5|C<3>}	117.6115	0.375	2	117.6115	0.141	2	118.9507	5.451	3	118.9507	5.451	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(COO){1|N<3>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OH){1|H<1>,5|C<3>}	121.6290	0.000	1	121.6290	0.000	1	118.9507	5.451	3	118.9507	5.451	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO){1|N<3>,3|C<3>}	120.9080	0.000	1	120.9080	0.000	1	120.9080	0.000	1	120.4997	0.809	9	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){6|C<3>}	121.3740	0.223	2	121.3740	0.050	2	121.3740	0.050	2	120.4997	0.809	9	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	N[5,6]-3:C[6]-3:N-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]C)(NHH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]C)(NHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.0950	0.739	4	120.0950	0.546	4	120.0950	0.546	4	120.4997	0.809	9	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6]-3:	N[6,6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6a]N[5,6]C[6a])(C[6]N[6,6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO)	C[6](C[5,6]C[5,6a]N[5,6]C[6a])(C[6]N[6,6]C)(COO){1|C<4>,1|S<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO){1|N<3>,2|H<1>,4|C<3>}	121.3010	0.000	1	121.3010	0.000	1	121.3010	0.000	1	120.4997	0.809	9	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,7|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO){1|N<3>,3|C<3>}	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	120.4997	0.809	9	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<3>}	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<2>,7|C<3>}	122.0580	0.041	2	122.0580	0.002	2	122.0580	0.002	2	121.6138	0.274	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<2>,7|C<3>}	121.1695	0.175	2	121.1695	0.031	2	121.1695	0.031	2	121.6138	0.274	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	4:3:2:	C[5,6]-4:C[6]-3:N-3:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	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){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	121.9830	0.245	2	121.9830	0.060	2	121.9830	0.060	2	121.7770	0.137	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	4:3:2:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:C[5]-3:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N)	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){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	121.5710	0.427	2	121.5710	0.182	2	121.5710	0.182	2	121.7770	0.137	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:3:4:	3:4:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(COO){1|C<4>,1|H<1>,2|C<3>}	119.3230	0.000	1	119.3230	0.000	1	119.3230	0.000	1	119.3230	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:4:1:	3:2:3:	C[5,6]-4:C[6a]-3:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]N)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H)	C[6](C[6]C[5,6]C[6a])(O[6]C[6])(NCS)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]N){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.4310	1.192	2	119.4310	1.421	2	119.4310	1.421	2	119.4310	1.421	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]O)(H){2|C<4>,2|H<1>,3|C<3>}	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:N[5]-3:O[6]-2:	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[6]C[5,6]C[6a])(N[5]C[5]2)(O[6]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(N[5]C[5]2)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	118.4130	0.000	1	118.1110	0.182	2	118.1110	0.182	2	118.1110	0.182	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:N[5]-3:O[6]-2:	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[6]C[5,6]C[6a])(N[5]C[5]2)(O[6]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(N[5]C[5]2)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	117.8090	0.000	1	118.1110	0.182	2	118.1110	0.182	2	118.1110	0.182	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	118.0590	0.000	1	118.0590	0.000	1	118.0590	0.000	1	118.0590	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,5|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	114.2360	0.000	1	114.2360	0.000	1	114.2360	0.000	1	114.2360	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:4:3:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	121.1810	0.434	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:4:3:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	121.9420	0.000	1	121.9420	0.000	1	121.3685	0.658	2	121.1810	0.434	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:4:3:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	120.7950	0.000	1	120.7950	0.000	1	121.3685	0.658	2	121.1810	0.434	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-4:	C[6]-3:N[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]HN)(C[6]C[6]HH)	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,2|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]HN)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H){2|C<4>,2|H<1>,3|C<3>}	121.1140	0.100	2	121.1140	0.010	2	121.1140	0.010	2	121.1140	0.010	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(CHO)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(CHO){1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8865	0.073	2	119.8865	0.005	2	119.8865	0.005	2	119.8865	0.005	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]N[6])(CC[6a]O)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]N[6])(CC[6a]O){1|N<2>,2|H<1>,5|C<3>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	116.7910	0.000	1	116.7910	0.000	1	116.7910	0.000	1	116.7910	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH){4|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	117.2560	0.000	1	117.2560	0.000	1	117.2560	0.000	1	117.2560	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	3:2:4:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|C<4>,1|O<1>,2|C<3>}	120.7460	0.000	1	120.7460	0.000	1	120.7460	0.000	1	120.7460	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	115.4760	0.000	1	115.4760	0.000	1	115.4760	0.000	1	119.1470	26.952	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	122.8180	0.000	1	122.8180	0.000	1	122.8180	0.000	1	119.1470	26.952	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	3:3:2:	C[5,6]-4:C[6]-3:N-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-2:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N)	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){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	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>}	121.6510	0.000	1	121.6510	0.000	1	121.6510	0.000	1	121.6510	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	N[5,6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(COO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.4920	0.000	1	122.4920	0.000	1	122.4920	0.000	1	122.4635	0.002	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){1|C<4>,1|H<1>,5|C<3>}	122.4350	0.000	1	122.4350	0.000	1	122.4350	0.000	1	122.4635	0.002	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	122.8870	0.000	1	122.8870	0.000	1	122.8870	0.000	1	122.1385	1.121	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H){1|H<1>,2|C<4>,4|C<3>}	121.3900	0.000	1	121.3900	0.000	1	121.3900	0.000	1	122.1385	1.121	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]H)(COO){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.5700	0.000	1	124.5700	0.000	1	124.5700	0.000	1	124.2840	0.164	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]C)(H){1|C<4>,6|C<3>}	123.9980	0.000	1	123.9980	0.000	1	123.9980	0.000	1	124.2840	0.164	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	3:4:3:4:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	119.4590	0.000	1	119.4590	0.000	1	119.4590	0.000	1	119.4590	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH)	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH){1|O<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|O<2>,2|C<4>,2|H<1>}	118.1860	0.000	1	118.1860	0.000	1	118.1860	0.000	1	118.1860	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:2:3:1:	4:3:2:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(COO)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH){1|O<2>,2|C<4>,2|H<1>}	118.1250	0.000	1	118.1250	0.000	1	118.1250	0.000	1	118.1250	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H){2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.8555	0.841	2	120.8555	0.707	2	120.8555	0.707	2	120.2453	0.560	6	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.7790	0.027	2	119.7790	0.001	2	119.9402	0.325	4	120.2453	0.560	6	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	120.1015	0.933	2	120.1015	0.870	2	119.9402	0.325	4	120.2453	0.560	6	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	119.1610	0.000	1	119.1610	0.000	1	119.1610	0.000	1	119.1610	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:2:2:	3:4:2:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:S[5]-2:S[5]-2:	C[6]-3:C[6]-4:O-2:	C[6](C[5,6]C[6]S[5]2)(C[6]C[6]O)(CNO)	C[5,6](C[6]C[6]CN)(C[6]C[6]C)(S[5]C[5])2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[6]S[5]2)(C[6]C[6]O)(CNO){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[6]C[6]CN)(C[6]C[6]C)(S[5]C[5])2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	120.5310	0.000	1	120.5310	0.000	1	120.5310	0.000	1	120.5310	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:2:4:	3:4:4:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO){2|H<1>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	122.8780	0.000	1	122.8780	0.000	1	122.8780	0.000	1	122.8780	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]H)(NOO)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]H)(NOO){2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.6200	0.000	2	122.6200	0.000	2	122.6200	0.000	2	122.6200	0.000	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(CCO){1|C<3>,1|H<1>,2|C<4>}	116.8400	0.000	1	116.8400	0.000	1	116.8400	0.000	1	116.1280	0.381	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C){1|H<1>,3|C<4>,6|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H){1|O<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO){1|H<1>,2|C<4>,3|C<3>}	115.7720	0.038	2	115.7720	0.001	2	115.7720	0.001	2	116.1280	0.381	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	112.2650	0.000	1	112.2650	0.000	1	112.2650	0.000	1	112.2650	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H)	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>,2|S<2>}	120.1920	0.000	1	120.1920	0.000	1	120.1920	0.000	1	120.3027	0.010	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-3:F-1:	C[6]-3:C[6]-4:F-1:	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]FH)(F)	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F){1|C<4>,1|O<1>,2|H<1>,3|F<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]FH)(F){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	120.3580	0.035	2	120.3580	0.001	2	120.3580	0.001	2	120.3027	0.010	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:4:2:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(COO)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.2090	0.185	2	122.2090	0.034	2	122.2090	0.034	2	122.2090	0.034	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(COO)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(COO){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|C<4>,2|H<1>,2|N<3>}	123.9040	0.000	1	123.9040	0.000	1	123.9040	0.000	1	121.7325	9.431	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	119.5610	0.000	1	119.5610	0.000	1	119.5610	0.000	1	121.7325	9.431	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(COO)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	121.0010	0.000	1	121.0010	0.000	1	121.0010	0.000	1	120.8093	0.084	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C[5]-3:C[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H){1|H<1>,2|C<4>,4|C<3>}	120.9520	0.000	1	120.7135	0.114	2	120.7135	0.114	2	120.8093	0.084	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C[5]-3:C[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2{3|H<1>,7|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	120.4750	0.000	1	120.7135	0.114	2	120.7135	0.114	2	120.8093	0.084	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:3:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(COO)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(COO){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	123.3915	0.414	2	123.3915	0.171	2	123.3915	0.171	2	123.3915	0.171	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<4>,5|C<3>}	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	118.7620	0.000	1	118.7620	0.000	1	118.7620	0.000	1	118.7590	0.000	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	118.7590	0.000	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	118.5680	0.000	1	118.5680	0.000	1	118.5680	0.000	1	118.7170	0.044	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	118.8660	0.000	1	118.8660	0.000	1	118.8660	0.000	1	118.7170	0.044	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:3:4:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]H)(H){1|O<2>,2|C<4>,3|C<3>}	119.8840	0.222	2	119.8840	0.049	2	119.8840	0.049	2	119.8840	0.049	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:2:3:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,5]-4:C[5]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5]C[5]O[6])(C[6]C[6,6a]H)(COO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5]C[5]O[6])(C[6]C[6,6a]H)(COO){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.2260	0.000	1	119.2260	0.000	1	119.2260	0.000	1	119.2260	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]O[6]H)(CNO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(O[6]C[5,6])(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]O[6]H)(CNO){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	114.2460	0.000	1	114.2460	0.000	1	114.2460	0.000	1	119.7883	13.673	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	121.4320	0.000	1	121.4320	0.000	1	121.6357	0.031	3	119.7883	13.673	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	121.7375	0.006	2	121.7375	0.000	2	121.6357	0.031	3	119.7883	13.673	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	113.7100	0.081	2	113.7100	0.006	2	113.7100	0.006	2	113.7100	0.006	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC){2|H<1>,3|C<4>}	112.9570	0.000	1	112.1580	1.277	2	112.1580	1.277	2	112.8970	4.755	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC){2|C<4>,3|H<1>}	111.3590	0.000	1	112.1580	1.277	2	112.1580	1.277	2	112.8970	4.755	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	111.7625	0.192	2	111.7625	0.037	2	111.7625	0.037	2	112.8970	4.755	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(CCH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(CCH){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	116.6440	0.000	1	116.6440	0.000	1	116.6440	0.000	1	112.8970	4.755	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHO){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	122.0630	2.574	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	122.3390	0.000	1	122.3390	0.000	1	121.4090	0.581	4	122.0630	2.574	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	120.7870	0.072	2	120.7870	0.005	2	121.4090	0.581	4	122.0630	2.574	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	121.7230	0.000	1	121.7230	0.000	1	121.4090	0.581	4	122.0630	2.574	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:4:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2){4|C<4>,7|H<1>}	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(CHO)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(CHO){4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|H<1>,4|C<4>}	119.5400	0.000	1	119.5400	0.000	1	120.4390	1.616	2	120.5386	5.148	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(COO)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(COO){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H){3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H){1|H<1>,4|C<4>}	121.3380	0.000	1	121.3380	0.000	1	120.4390	1.616	2	120.5386	5.148	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[5,6]O)(CCO)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]C)(O)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[5,6]O)(CCO){1|C<3>,1|O<2>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6,6]C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|O<2>}	C[6](C[5,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]C)(O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	120.5386	5.148	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHO){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){2|H<1>,3|C<4>}	123.8940	0.000	1	123.8940	0.000	1	123.8940	0.000	1	120.5386	5.148	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(COO)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(COO){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	120.5386	5.148	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	4:3:2:	C[5,6]-4:C[6]-3:C-3:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(COO)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(COO){3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH){1|N<4>,2|C<4>,2|H<1>}	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){2|C<4>,4|C<3>}	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:3:	3:3:2:	C[5,6]-4:C[6]-3:N-3:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N)	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){1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]N)(CN){1|H<1>,2|C<4>,3|C<3>}	119.9060	0.000	1	119.9060	0.000	1	119.9060	0.000	1	119.9060	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:3:	3:4:2:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,5]-4:C[5,6]-4:C[6]-3:N-3:	C[6]-3:C[6]-4:S-2:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]S)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(NHO)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(SC[6a])	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]S){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(NHO){1|S<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(SC[6a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	121.3980	0.000	1	121.3980	0.000	1	121.3980	0.000	1	121.3980	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:4:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCH)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	120.6890	0.471	2	120.6890	0.222	2	120.6890	0.222	2	120.6890	0.222	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:3:	4:4:3:4:	3:4:2:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCO)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCO){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH){2|H<1>,3|C<4>}	121.3150	0.016	2	121.3150	0.000	2	121.3150	0.000	2	121.3150	0.000	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:Si-4:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SiC3)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]Si)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SiC3){1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]Si)(H){1|C<4>,1|H<1>,3|C<3>}	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3)	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5])	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	120.7170	0.000	1	120.7170	0.000	1	120.7170	0.000	1	120.7170	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2{1|I<1>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	120.7620	0.217	4	120.7620	0.047	4	120.7620	0.047	4	120.7620	0.047	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OH)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OH){1|C<4>,3|C<3>}	120.0850	0.000	1	120.0850	0.000	1	120.0850	0.000	1	120.0850	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:3:4:3:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]C)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CH3){1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]C){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]C)(H){1|C<4>,3|C<3>}	120.6740	0.000	1	120.6740	0.000	1	120.6740	0.000	1	120.6740	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:4:2:3:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(CH3)	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(CH3){2|C<4>,5|C<3>}	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.9640	0.000	1	118.9640	0.000	1	118.9640	0.000	1	118.9640	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]C)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3){2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	119.5290	0.027	2	119.5290	0.001	2	119.5290	0.001	2	121.1863	3.685	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6]-3:S-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,3|C<3>,4|H<1>}	122.6580	0.000	1	122.8435	0.069	2	122.8435	0.069	2	121.1863	3.685	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6]-3:S-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	123.0290	0.000	1	122.8435	0.069	2	122.8435	0.069	2	121.1863	3.685	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	122.3740	0.000	1	122.3740	0.000	1	122.3740	0.000	1	122.3740	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	119.1060	0.088	2	119.1060	0.008	2	119.1060	0.008	2	119.1060	0.008	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:4:3:4:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC){1|C<3>,1|H<1>,3|C<4>}	119.2380	0.000	1	119.2380	0.000	1	119.2380	0.000	1	119.2380	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:4:3:4:	3:3:3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(COO){1|C<3>,3|C<4>}	118.8020	0.000	1	118.8020	0.000	1	118.8020	0.000	1	118.8020	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	3:4:4:3:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6]C[6]CC)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6]C[6]CC)(C[6]C[6]C){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	121.9890	0.000	1	121.9890	0.000	1	121.9890	0.000	1	121.9890	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:2:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH)	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	118.5110	0.000	1	118.5110	0.000	1	118.5110	0.000	1	118.5110	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	121.1400	0.000	1	121.1400	0.000	1	121.1400	0.000	1	121.1400	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O[5]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	119.2310	0.000	1	119.2310	0.000	1	119.2310	0.000	1	119.2310	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:2:2:	3:4:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3){3|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,6|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	121.9430	0.000	1	121.9430	0.000	1	121.6970	0.121	2	121.6970	0.121	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:2:2:	3:4:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3){3|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,6|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	121.4510	0.000	1	121.4510	0.000	1	121.6970	0.121	2	121.6970	0.121	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:2:2:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O[5]-2:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:2:3:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>}	121.2640	0.000	1	121.2640	0.000	1	121.2640	0.000	1	121.2640	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	120.0530	0.000	1	120.0530	0.000	1	120.0530	0.000	1	120.0530	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H)	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H){1|B<3>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	121.7370	0.000	1	121.4697	0.110	3	121.0152	0.899	4	121.0152	0.899	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H)	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H){1|B<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	121.3360	0.337	2	121.4697	0.110	3	121.0152	0.899	4	121.0152	0.899	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6,6]N[5,5a,6]C[6,6]C)(B[5]N[5,5a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H)	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	C[5,6](C[5,6,6]N[5,5a,6]C[6,6]C)(B[5]N[5,5a]C[6a])(C[6]C[6]C)(H){1|B<3>,1|H<1>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	119.6520	0.000	1	119.6520	0.000	1	121.0152	0.899	4	121.0152	0.899	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	121.3925	5.955	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO){1|C<3>,1|D<1>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO){1|H<1>,1|N<3>,3|C<4>}	119.6670	0.000	1	119.6670	0.000	1	119.6670	0.000	1	121.3925	5.955	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH){1|C<4>,3|C<3>,3|H<1>}	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	121.7770	0.147	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	122.0480	0.000	1	122.0480	0.000	1	122.0480	0.000	1	121.7770	0.147	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:3:2:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH)	C[6](C[6]C[5,5,6]C[3]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]C[3]H)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){2|C<3>,2|C<4>}	120.9250	0.304	2	121.1340	0.177	3	121.1340	0.177	3	121.1340	0.177	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<3>,3|C<4>}	121.5520	0.000	1	121.1340	0.177	3	121.1340	0.177	3	121.1340	0.177	3	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:3:3:4:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[5,5]-4:C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>}	119.2990	0.000	1	119.2990	0.000	1	119.2990	0.000	1	119.2990	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:2:3:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,3|C<4>}	121.1920	0.000	1	121.1920	0.000	1	120.9730	0.096	2	120.9730	0.096	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:2:3:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,3|C<4>}	120.7540	0.000	1	120.7540	0.000	1	120.9730	0.096	2	120.9730	0.096	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]CO)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]CO)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	119.7960	0.000	1	119.7960	0.000	1	119.7960	0.000	1	121.1080	1.134	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|C<3>,1|H<1>,3|C<4>}	120.1070	0.000	1	120.1070	0.000	1	121.4360	0.794	4	121.1080	1.134	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	122.0140	0.000	1	122.0140	0.000	1	121.4360	0.794	4	121.1080	1.134	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,5|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	121.8115	0.029	2	121.8115	0.001	2	121.4360	0.794	4	121.1080	1.134	5	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,3|O<2>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC){1|H<1>,1|O<2>,3|C<4>}	121.3400	0.000	1	121.3400	0.000	1	121.3400	0.000	1	121.3400	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H){2|C<4>,3|H<1>}	120.3060	0.000	1	120.3060	0.000	1	120.3060	0.000	1	120.3060	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|H<1>}	114.3550	0.000	1	114.3550	0.000	1	120.0585	14.733	4	120.0131	3.648	18	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	122.6980	0.000	1	122.6980	0.000	1	120.0585	14.733	4	120.0131	3.648	18	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	121.6510	0.000	1	121.5905	0.007	2	120.0585	14.733	4	120.0131	3.648	18	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	121.5300	0.000	1	121.5905	0.007	2	120.0585	14.733	4	120.0131	3.648	18	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.0815	0.504	8	120.0815	0.254	8	120.0001	1.370	14	120.0131	3.648	18	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	117.9650	0.000	1	119.8915	3.182	6	120.0001	1.370	14	120.0131	3.648	18	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	120.3780	0.000	1	119.8915	3.182	6	120.0001	1.370	14	120.0131	3.648	18	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	120.2515	1.953	4	119.8915	3.182	6	120.0001	1.370	14	120.0131	3.648	18	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:4:2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	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){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<2>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(CN){2|C<4>,3|H<1>}	118.2590	0.000	1	118.2590	0.000	1	118.2590	0.000	1	118.2590	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:4:3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	120.2160	0.000	1	120.2160	0.000	1	120.2160	0.000	1	120.2160	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	124.2160	0.000	1	124.2160	0.000	1	121.0230	20.390	2	121.0230	20.390	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	117.8300	0.000	1	117.8300	0.000	1	121.0230	20.390	2	121.0230	20.390	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	120.1390	0.076	2	120.1390	0.006	2	120.1390	0.006	2	120.7896	2.264	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(CH3)	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(CH3){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H){4|C<4>,4|H<1>}	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	120.7896	2.264	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHHO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHHO){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){2|H<1>,3|C<4>}	122.6680	0.000	1	122.6680	0.000	1	122.6680	0.000	1	120.7896	2.264	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(CH3)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(CH3){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H){4|C<4>,4|H<1>}	121.6730	0.000	1	121.6730	0.000	1	121.6730	0.000	1	120.7896	2.264	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]C)(H){1|H<1>,4|C<4>}	119.8110	2.669	2	119.8110	7.122	2	119.9290	3.603	3	120.7896	2.264	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.1650	0.000	1	120.1650	0.000	1	119.9290	3.603	3	120.7896	2.264	8	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	119.2385	2.778	4	119.2385	7.715	4	119.2385	7.715	4	119.2385	7.715	4	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:2:	3:4:4:	C[5,6]-4:C[6]-3:C-4:	C[3,5]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	123.3840	0.000	1	123.3840	0.000	1	123.3840	0.000	1	123.3840	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2{1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	122.0140	0.000	1	122.0140	0.000	1	122.5665	0.611	2	122.5665	0.611	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CHHO)	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CHHO){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2{1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	123.1190	0.000	1	123.1190	0.000	1	122.5665	0.611	2	122.5665	0.611	2	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:3:3:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(CH3)	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)(C[6]N[6]O)	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){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)(C[6]N[6]O){1|C<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]N[6]N)(CN){2|C<3>,2|C<4>}	120.5950	0.000	1	120.5950	0.000	1	120.5950	0.000	1	120.5950	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:3:4:	4:4:4:3:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,5,6]H)(CH3)	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C)	C[6](C[5,5,6]C[3x5]C[5,6]O[5])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,5,6]H)(CH3){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,5,6]C[3x5]C[5,6]O[5])(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	122.4510	0.000	1	122.4510	0.000	1	122.4510	0.000	1	122.4510	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:4:3:	2:4:3:1:	3:3:1:	C[5,6]-4:C[6]-4:C[6]-3:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]O)(H){1|O<2>,3|H<1>,4|C<4>}	118.2380	0.000	1	118.2380	0.000	1	118.2380	0.000	1	118.2380	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:4:3:	2:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[6]-3:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H){2|O<2>,4|H<1>,6|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]HO)(H){1|O<2>,3|H<1>,4|C<4>}	117.1940	0.000	1	117.1940	0.000	1	117.1940	0.000	1	117.1940	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683
762	474	762	6:SP2_SP2_SP3	C[6]	C[5,6]	C[6]	4:4:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C){2|H<1>,3|C<4>,6|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO){2|C<3>,2|H<1>,3|C<4>}	118.0430	0.000	1	118.0430	0.000	1	118.0430	0.000	1	118.0430	0.000	1	121.3083	9.680	1170	120.7779	11.601	1683