643	466	727	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6,6a]-3:C[5,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]2)(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H)	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5,6a]C[6,6,6a]C[5])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]2)(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5,6a]C[6,6,6a]C[5]){3|C<3>,3|H<1>,5|C<4>}	128.8328	0.576	6	128.8328	0.332	6	128.8328	0.332	6	128.8328	0.332	6	127.7842	1.596	12	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[5,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5,6a]-3:C[5]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H)	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5]C[5,6a]HH)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(C[3x6]C[6,6]2H){3|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,3|C<3>,4|C<4>}	126.7355	0.734	6	126.7355	0.539	6	126.7355	0.539	6	126.7355	0.539	6	127.7842	1.596	12	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[5a,6a]-3:O[5a]-2:	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H)	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	128.8773	0.331	4	128.8773	0.109	4	128.8773	0.109	4	128.8773	0.109	4	128.0195	1.652	10	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6a]-3:C[6,6,6a]-3:S[5a]-2:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H){3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6]){1|H<1>,3|C<3>,4|C<4>}	128.4600	0.000	1	128.4600	0.000	1	127.7080	1.410	3	127.7080	1.410	3	128.0195	1.652	10	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6a]-3:C[6,6,6a]-3:S[5a]-2:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6a])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H){3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6a]){1|H<1>,3|C<3>,4|C<4>}	127.3320	1.404	2	127.3320	1.972	2	127.7080	1.410	3	127.7080	1.410	3	128.0195	1.652	10	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6a]-3:C[6,6,6a]-3:C[5a,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]2)(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[6,6,6a]S[5a])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]2)(C[3x6]C[6,6]2H){1|S<2>,3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[6,6,6a]S[5a]){1|H<1>,3|C<3>,5|C<4>}	126.3415	1.455	2	126.3415	2.116	2	126.3415	2.116	2	127.1873	3.204	3	128.0195	1.652	10	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6,6,6a]S[5a])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H){1|S<2>,3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6,6,6a]S[5a]){1|H<1>,2|C<3>,6|C<4>}	128.8790	0.000	1	128.8790	0.000	1	128.8790	0.000	1	127.1873	3.204	3	128.0195	1.652	10	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[5,6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	126.7700	0.000	1	126.7700	0.000	1	126.7700	0.000	1	126.7700	0.000	1	126.7700	0.000	1	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[5a,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[5a,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6,6])(C[5a]C[5a,6a]O)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a]){10|C<3>,1|N<2>,1|O<1>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6,6])(C[5a]C[5a,6a]O){8|C<3>}	126.9340	0.000	1	126.9340	0.000	1	126.9340	0.000	1	126.9340	0.000	1	126.9340	0.000	1	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.6500	0.000	1	121.7183	0.779	3	121.7183	0.779	3	122.4475	2.991	8	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.7525	1.245	2	121.7183	0.779	3	121.7183	0.779	3	122.4475	2.991	8	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.9590	0.000	1	122.1480	9.583	2	121.9237	4.943	3	122.4475	2.991	8	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	124.3370	0.000	1	122.1480	9.583	2	121.9237	4.943	3	122.4475	2.991	8	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.4750	0.000	1	121.4750	0.000	1	121.9237	4.943	3	122.4475	2.991	8	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	124.3270	0.088	2	124.3270	0.008	2	124.3270	0.008	2	122.4475	2.991	8	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HO)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HO){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H){1|O<2>,4|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.2885	0.316	2	122.2885	0.100	2	122.2885	0.100	2	122.2885	0.100	2	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,6])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH){2|C<4>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,6]){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	123.1290	0.000	1	123.1290	0.000	1	123.1290	0.000	1	123.0096	8.060	5	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]CH){1|C<3>,1|H<1>,1|S<2>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	120.6570	0.000	1	120.6570	0.000	1	120.6570	0.000	1	123.0096	8.060	5	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	119.6740	0.000	1	119.6740	0.000	1	119.6740	0.000	1	123.0096	8.060	5	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]CH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	125.7940	0.246	2	125.7940	0.061	2	125.7940	0.061	2	123.0096	8.060	5	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	120.0680	0.000	1	120.0680	0.000	1	120.0680	0.000	1	120.0680	0.000	1	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.5890	0.793	2	123.2111	0.775	10	123.2695	0.566	15	123.1524	0.748	16	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	123.1166	0.925	8	123.2111	0.775	10	123.2695	0.566	15	123.1524	0.748	16	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]O[5]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.5890	0.092	4	123.5890	0.009	4	123.2695	0.566	15	123.1524	0.748	16	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O){2|C<4>,2|H<1>,3|C<3>}	122.5750	0.000	1	122.5750	0.000	1	123.2695	0.566	15	123.1524	0.748	16	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2	C[5,6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5,6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	121.3970	0.000	1	121.3970	0.000	1	121.3970	0.000	1	123.1524	0.748	16	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[5,6a]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[6]H)	C[6,6a](C[5,6a]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[6]H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	120.1730	0.000	1	120.1730	0.000	1	120.1730	0.000	1	120.9866	0.568	5	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:P[5]-4:	C[6,6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]B[5])(P[5]C[6a]2N[5])	C[6,6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]B[5])(P[5]C[6a]2N[5]){1|O<2>,2|C<4>,3|H<1>,7|C<3>}	120.4390	0.000	1	120.4390	0.000	1	120.4390	0.000	1	120.9866	0.568	5	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]CO)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]CO){1|C<4>,2|H<1>,5|C<3>}	120.9400	0.000	1	120.9400	0.000	1	120.9400	0.000	1	120.9866	0.568	5	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,4|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	121.6905	0.562	2	121.6905	0.316	2	121.6905	0.316	2	120.9866	0.568	5	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a](C[5,6a]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CH3)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(C[5]C[6a]C[5]H)	C[6,6a](C[5,6a]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]CC){2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(C[5]C[6a]C[5]H){2|H<1>,3|C<3>,7|C<4>}	121.7760	0.000	1	121.7760	0.000	1	121.7760	0.000	1	123.8265	8.409	2	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[5,6a,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[5])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(CH3)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]HH)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[5])(C[6]C[6]CC){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]HH){3|C<4>,5|C<3>}	125.8770	0.000	1	125.8770	0.000	1	125.8770	0.000	1	123.8265	8.409	2	122.6225	2.659	40	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	120.3860	0.000	1	120.3860	0.000	1	120.3860	0.000	1	120.3860	0.000	1	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:3:2:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2{1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6]){1|H<1>,2|O<2>,6|C<3>}	123.4850	0.085	2	123.4850	0.007	2	123.4850	0.007	2	123.4850	0.007	2	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[5a,6a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6])(C[5a]C[5a,6a]O)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C){1|O<1>,9|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6])(C[5a]C[5a,6a]O){1|C<4>,7|C<3>}	126.9810	0.000	1	126.9810	0.000	1	126.9810	0.000	1	126.9810	0.000	1	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.0220	0.000	1	123.0220	0.000	1	123.0220	0.000	1	123.0220	0.000	1	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:3:4:2:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.5407	0.706	3	119.6423	0.374	4	119.6423	0.374	4	120.0080	0.949	5	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:3:4:2:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	119.9470	0.000	1	119.6423	0.374	4	119.6423	0.374	4	120.0080	0.949	5	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:3:4:2:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.4710	0.000	1	121.4710	0.000	1	121.4710	0.000	1	120.0080	0.949	5	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.1885	0.504	4	121.1885	0.254	4	121.1885	0.254	4	121.1885	0.254	4	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|H<1>,1|N<3>,6|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	121.2630	0.000	1	121.2630	0.000	1	121.2630	0.000	1	121.2630	0.000	1	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[4x6]C[6a])(C[6]C[5,6]HH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[4x6]C[6a])(C[6]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.6220	0.530	2	121.6220	0.281	2	121.7253	0.173	3	120.6762	4.517	4	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.9320	0.000	1	121.9320	0.000	1	121.7253	0.173	3	120.6762	4.517	4	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH){1|C<3>,1|N<2>,1|S<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	117.5290	0.000	1	117.5290	0.000	1	117.5290	0.000	1	120.6762	4.517	4	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]S[6]HH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|N<2>,4|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]S[6]HH)(H)2{1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C){2|C<3>,2|C<4>,2|H<1>}	118.3400	0.000	1	118.3400	0.000	1	118.3400	0.000	1	118.3400	0.000	1	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){2|H<1>,3|C<3>,3|C<4>}	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[5,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	122.3150	0.463	3	122.3150	0.215	3	122.3150	0.215	3	122.6817	0.541	8	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|H<1>,3|C<3>,4|C<4>}	122.5500	0.000	1	122.9018	0.678	5	122.9018	0.678	5	122.6817	0.541	8	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	122.6667	0.808	3	122.9018	0.678	5	122.9018	0.678	5	122.6817	0.541	8	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	123.9590	0.000	1	122.9018	0.678	5	122.9018	0.678	5	122.6817	0.541	8	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	120.9170	0.000	1	120.9170	0.000	1	120.9170	0.000	1	123.0242	2.743	4	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	123.1250	0.371	2	123.1250	0.137	2	123.1250	0.137	2	123.0242	2.743	4	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	124.9300	0.000	1	124.9300	0.000	1	124.9300	0.000	1	123.0242	2.743	4	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.5260	0.000	1	122.5260	0.000	1	122.5260	0.000	1	122.5260	0.000	1	121.7667	3.602	34	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5,6a]	3:3:4:	3:3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C[6])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C[6]){1|O<1>,2|H<1>,3|C<3>,6|C<4>}	125.6450	0.000	1	125.6450	0.000	1	125.6450	0.000	1	125.6450	0.000	1	124.7292	8.508	5	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	125.6195	0.206	2	125.6195	0.042	2	125.6195	0.042	2	123.6277	11.923	3	124.7292	8.508	5	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	119.6440	0.000	1	119.6440	0.000	1	119.6440	0.000	1	123.6277	11.923	3	124.7292	8.508	5	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5,6a]	3:3:4:	3:4:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CO){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	127.1180	0.000	1	127.1180	0.000	1	127.1180	0.000	1	127.1180	0.000	1	124.7292	8.508	5	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,3|H<1>,4|C<3>}	124.6460	0.188	2	124.6460	0.035	2	124.6460	0.035	2	124.6460	0.035	2	123.7694	1.200	18	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,4|H<1>}	123.2770	0.000	1	123.7480	0.444	2	123.3100	0.406	4	123.3100	0.406	4	123.7694	1.200	18	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,4|H<1>}	124.2190	0.000	1	123.7480	0.444	2	123.3100	0.406	4	123.3100	0.406	4	123.7694	1.200	18	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,2|C<3>,5|H<1>}	122.8720	0.076	2	122.8720	0.006	2	123.3100	0.406	4	123.3100	0.406	4	123.7694	1.200	18	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:3:4:	3:4:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	123.2815	1.385	2	123.2815	1.919	2	123.2815	1.919	2	123.2815	1.919	2	123.7694	1.200	18	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	125.0910	0.000	1	125.0910	0.000	1	124.9075	0.067	2	124.9075	0.067	2	123.7694	1.200	18	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	124.7240	0.000	1	124.7240	0.000	1	124.9075	0.067	2	124.9075	0.067	2	123.7694	1.200	18	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6]C[6]2H)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	123.5635	0.117	2	123.5635	0.014	2	123.5635	0.014	2	123.5635	0.014	2	123.7694	1.200	18	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]C[6]){3|C<3>,3|H<1>,4|C<4>}	124.6590	0.000	2	124.6590	0.000	2	124.6590	0.000	2	124.6590	0.000	2	123.7694	1.200	18	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a])	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[6])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	122.1630	0.000	1	122.1630	0.000	1	122.1630	0.000	1	122.1630	0.000	1	123.7694	1.200	18	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:4:2:	3:4:4:2:	3:3:3:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a])	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]C[6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]C[6]){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	124.5140	0.000	1	124.5140	0.000	1	124.5140	0.000	1	124.5140	0.000	1	123.7694	1.200	18	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	123.7694	1.200	18	123.6675	7.457	121
643	466	727	0:SP2_SP2_SP3	C[6a]	C[6]	C[5a,6a]	3:4:3:	3:4:3:3:	3:3:3:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[3,6]-4:C[6]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[3,6]C[6]C)(C[6a]C[6a]H)	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[3,6]C[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,5|C<4>}	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	124.5560	0.000	1	124.5560	0.000	1	124.5560	0.000	1	124.5560	0.000	1	123.7694	1.200	18	123.6675	7.457	121
643	466	727	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[5,6,6a]	3:3:4:	3:3:3:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl){1|Cl<1>,3|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6]){2|Cl<1>,1|C<4>,7|C<3>}	118.4700	0.000	1	118.4700	0.000	1	118.4700	0.000	1	118.2340	0.111	2	119.0690	2.147	3	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[5,6,6a]	3:3:4:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl){2|Cl<1>,3|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6]){3|Cl<1>,4|C<3>,4|C<4>}	117.9980	0.000	1	117.9980	0.000	1	117.9980	0.000	1	118.2340	0.111	2	119.0690	2.147	3	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[5,6,6a]	3:4:3:	3:3:4:3:	3:3:4:	C[6,6a,6a]-3:C[3x6]-4:C[5,6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]O[6]H)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6]){10|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,9|C<3>}	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]O[6]H){1|C<4>,7|C<3>}	120.7390	0.000	1	120.7390	0.000	1	120.7390	0.000	1	120.7390	0.000	1	119.0690	2.147	3	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[5a,6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H){3|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	115.7930	0.000	1	115.7930	0.000	1	118.0380	4.193	3	118.0380	4.193	3	118.0380	4.193	3	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[5a,6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H)	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H){2|H<1>,4|C<3>,4|C<4>}	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	119.1605	0.909	2	119.1605	0.826	2	118.0380	4.193	3	118.0380	4.193	3	118.0380	4.193	3	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[5,6,6a]	3:3:4:	3:4:3:1:	4:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[6,6]C[5,6]C[6,6]H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[6,6]C[5,6]C[6,6]H){10|C<3>,1|C<4>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6]){10|C<3>,1|C<4>,1|H<1>}	117.7490	0.000	1	117.7490	0.000	1	117.7490	0.000	1	117.7490	0.000	1	117.7490	0.000	1	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[5a,6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6,6a]-3:C[6,6a,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5a,6,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[5,6]C[6,6]H)	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[5,6]C[6,6]H){10|C<3>}	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,8|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	116.3310	0.000	1	116.3310	0.000	1	116.3310	0.000	1	116.3310	0.000	1	116.3310	0.000	1	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[5,6,6a]	3:4:3:	4:3:2:1:	3:3:4:	C[5,6,6a]-3:C[3x6]-4:C[6a]-3:	C[4x6]-4:C[6,6a]-3:O[6,6]-2:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3x6]C[4x6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6a]C[5,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[5,6,6a](C[6,6a]C[3x6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3x6]C[4x6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6a]C[5,6,6a]C[6a])(O[6,6]C[3x6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6a](C[6,6a]C[3x6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[5,6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[5,6,6a](C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,6,6a](C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,6|H<1>}	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[5a,6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,7|H<1>}	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	114.4390	1.520	8	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[5a,6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,7|H<1>}	114.0747	1.036	3	114.5083	1.468	4	114.5083	1.468	4	114.5083	1.468	4	114.4390	1.520	8	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[5a,6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,3|C<3>,6|H<1>}	115.8090	0.000	1	114.5083	1.468	4	114.5083	1.468	4	114.5083	1.468	4	114.4390	1.520	8	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[5a,6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<3>,2|C<4>,7|H<1>}	114.9570	0.000	1	114.9570	0.000	1	114.9570	0.000	1	114.9570	0.000	1	114.4390	1.520	8	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[5a,6,6a]	3:4:3:	3:4:4:2:	3:3:3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC){3|C<3>,3|C<4>,4|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	115.1460	0.259	2	115.1460	0.067	2	115.1460	0.067	2	115.1460	0.067	2	114.4390	1.520	8	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(H)2	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	115.7825	0.343	6	115.7825	0.117	6	115.7825	0.117	6	115.7825	0.117	6	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|Cl<1>,1|O<2>,2|C<3>,5|H<1>}	116.4760	0.000	1	116.4760	0.000	1	116.0040	0.446	2	116.0040	0.446	2	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|O<2>,2|C<3>,6|H<1>}	115.5320	0.000	1	115.5320	0.000	1	116.0040	0.446	2	116.0040	0.446	2	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,8|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a,6a]C[6]){1|C<2>,2|H<1>,8|C<3>}	115.7620	0.000	1	115.7620	0.000	1	115.7620	0.000	1	115.8345	0.011	2	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[5,6,6a](C[5,6,6]C[5,6]C[6]N[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,6,6]C[5,6]C[6]N[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	115.9070	0.000	1	115.9070	0.000	1	115.9070	0.000	1	115.8345	0.011	2	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H)	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|C<4>,2|C<3>,6|H<1>}	116.3003	0.196	3	116.3003	0.038	3	116.3003	0.038	3	116.3003	0.038	3	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:3:4:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[3,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	118.8100	0.000	1	118.8100	0.000	1	118.8100	0.000	1	118.8100	0.000	1	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|Mo<10>,2|C<3>,2|C<4>,5|H<1>}	116.8710	0.000	1	116.8710	0.000	1	114.4003	4.578	3	116.7069	3.898	14	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	113.1650	0.000	2	113.1650	0.000	2	114.4003	4.578	3	116.7069	3.898	14	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,1|C<3>,4|C<4>,4|H<1>}	116.0185	0.436	2	115.8287	0.113	4	115.8287	0.113	4	116.7069	3.898	14	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,2|C<3>,3|C<4>,4|H<1>}	115.6390	0.072	2	115.8287	0.113	4	115.8287	0.113	4	116.7069	3.898	14	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	116.8610	0.000	1	116.8610	0.000	1	116.8610	0.000	1	116.7069	3.898	14	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	116.7760	0.000	1	117.7323	0.795	3	118.4198	0.902	6	116.7069	3.898	14	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	117.8800	0.000	1	117.7323	0.795	3	118.4198	0.902	6	116.7069	3.898	14	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	118.5410	0.000	1	117.7323	0.795	3	118.4198	0.902	6	116.7069	3.898	14	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[6]P[5])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[6]P[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	119.3230	0.000	1	119.3230	0.000	1	118.4198	0.902	6	116.7069	3.898	14	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Rh<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	118.9995	0.118	2	118.9995	0.014	2	118.4198	0.902	6	116.7069	3.898	14	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,5|C<3>,6|H<1>}	119.1550	0.000	1	119.1550	0.000	1	118.5328	0.896	5	118.5328	0.896	5	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]O){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	118.6320	0.000	1	118.6320	0.000	1	118.5328	0.896	5	118.5328	0.896	5	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	119.6720	0.000	1	119.6720	0.000	1	118.5328	0.896	5	118.5328	0.896	5	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]C){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	117.8840	0.000	1	117.8840	0.000	1	118.5328	0.896	5	118.5328	0.896	5	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	117.3210	0.000	1	117.3210	0.000	1	118.5328	0.896	5	118.5328	0.896	5	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]O)(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]O)(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	119.0515	0.547	2	119.0515	0.299	2	119.0515	0.299	2	119.0515	0.299	2	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	C[5,6,6a](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	114.7400	0.000	1	114.7400	0.000	1	117.8320	2.846	6	117.8320	2.846	6	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|C<4>,6|H<1>}	119.3840	0.000	1	118.3760	0.883	4	117.8320	2.846	6	117.8320	2.846	6	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	118.0400	0.804	3	118.3760	0.883	4	117.8320	2.846	6	117.8320	2.846	6	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]O)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]O)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|C<4>,6|H<1>}	118.7480	0.000	1	118.7480	0.000	1	117.8320	2.846	6	117.8320	2.846	6	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	117.5215	0.660	2	117.5215	0.435	2	117.6120	1.941	4	117.6120	1.941	4	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	117.7025	2.314	2	117.7025	5.356	2	117.6120	1.941	4	117.6120	1.941	4	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(COO)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	120.2180	0.000	1	120.2180	0.000	1	120.2180	0.000	1	120.2180	0.000	1	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,5]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	117.5000	0.000	1	117.5000	0.000	1	117.5000	0.000	1	118.2233	0.274	4	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,2|N<2>,4|H<1>}	118.7530	0.000	1	118.7530	0.000	1	118.4643	0.063	3	118.2233	0.274	4	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,2|N<2>,4|H<1>}	118.3200	0.017	2	118.3200	0.000	2	118.4643	0.063	3	118.2233	0.274	4	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[5,6,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){2|C<3>,4|C<4>,6|H<1>}	122.4180	0.000	1	122.4180	0.000	1	121.0790	3.586	2	121.0790	3.586	2	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	119.7400	0.000	1	119.7400	0.000	1	121.0790	3.586	2	121.0790	3.586	2	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:C-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a,6]C[6a]C)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[5,6,6a](N[5,6]C[5a,6]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a,6]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5,6,6a](N[5,6]C[5a,6]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|N<2>,1|N<3>,3|C<3>,6|H<1>}	120.1160	0.000	1	120.1160	0.000	1	120.1160	0.000	1	120.1160	0.000	1	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:3:3:3:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]C[6a]2)(C[6a]C[5a,6a]Cl)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[5,6,6a](C[5,6]C[5,5a]C[6,6a]C[6a])(C[5,6a]C[5a,6a]C[5,5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]C[6a]2)(C[6a]C[5a,6a]Cl){10|C<3>,1|S<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|Cl<1>,1|C<4>,5|H<1>,8|C<3>}	C[5,6,6a](C[5,6]C[5,5a]C[6,6a]C[6a])(C[5,6a]C[5a,6a]C[5,5a])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|S<2>,9|C<3>}	116.8850	0.000	1	116.8850	0.000	1	116.8850	0.000	1	116.8850	0.000	1	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	118.1400	0.000	1	118.1400	0.000	1	118.1400	0.000	1	118.1400	0.000	1	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH)	C[5,6,6a](N[5,6]C[6,6a]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[5,6,6a](N[5,6]C[6,6a]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,6|H<1>}	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[5,6,6a](C[5,6]C[6,6a]N[5])(C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[5,6,6a](C[5,6]C[6,6a]N[5])(C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6]){2|H<1>,3|C<3>,4|C<4>}	121.1580	0.000	1	121.1580	0.000	1	121.1580	0.000	1	121.1580	0.000	1	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a])(C[6]C[5,6]HH)(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]H)(H)2	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	116.4830	0.000	1	116.4830	0.000	1	116.4830	0.000	1	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2	C[5,6,6a](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	113.9220	0.704	2	113.9220	0.496	2	113.9220	0.496	2	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>,4|C<4>}	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	114.9027	0.372	3	114.9027	0.139	3	114.9027	0.139	3	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]Cl){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|N<3>,2|C<3>,3|C<4>,6|H<1>}	118.6430	0.000	1	118.6430	0.000	1	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	118.1650	0.000	1	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	117.9490	0.000	1	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|N<3>,4|C<4>,7|H<1>}	117.7560	0.000	1	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,4|C<4>,8|H<1>}	118.5250	0.000	1	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	117.9290	0.092	2	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	117.9361	0.634	9	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	117.5410	0.000	1	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	118.4660	0.000	1	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	117.4740	0.280	2	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	118.2747	1.180	3	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	117.4745	0.392	2	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	118.6674	0.725	8	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	118.7340	0.000	1	118.1357	0.487	33	118.1506	0.480	34	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2	C[5,6,6a](C[5,4x6]C[4,4x6]C[5,6,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6,6a](C[5,4x6]C[4,4x6]C[5,6,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	118.9480	0.000	1	118.9480	0.000	1	118.2357	0.394	13	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|C<2>,1|H<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	117.2860	0.000	1	118.1763	0.380	12	118.2357	0.394	13	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	118.0500	0.253	2	118.1763	0.380	12	118.2357	0.394	13	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	118.4597	0.476	4	118.1763	0.380	12	118.2357	0.394	13	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	118.8790	0.000	1	118.1763	0.380	12	118.2357	0.394	13	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	118.0030	0.748	4	118.1763	0.380	12	118.2357	0.394	13	117.7966	1.634	53	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:2:2:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-2:O-2:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]CO)(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)(OH)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	116.3010	0.274	2	116.3010	0.075	2	116.3010	0.075	2	116.3010	0.075	2	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	3:4:4:4:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(CH3)2	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|H<1>,5|C<4>}	120.2310	0.000	1	120.2310	0.000	1	120.2310	0.000	1	120.2310	0.000	1	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5,6,6a]	3:4:3:	4:3:2:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[4x6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[4x6]HO)(C[6a]C[6a]H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H)	C[5,6,6a](C[5,6]C[3x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[4x6]HO)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,6]C[3x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	117.6767	2.581	115	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[5a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(H)2	C[5a,6,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[5a,6a])(C[6]C[6]HH){2|C<3>,2|N<3>,3|C<4>}	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6]){1|C<4>,4|C<3>,4|H<1>}	115.0300	0.000	1	115.0300	0.000	1	115.0300	0.000	1	115.0300	0.000	1	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[6]C[6]H)(H)2	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	113.3330	0.000	1	113.3330	0.000	1	113.3330	0.000	1	113.3330	0.000	1	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	115.9270	0.000	1	116.1815	0.130	2	116.0530	0.384	4	116.5805	0.754	12	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	116.4360	0.000	1	116.1815	0.130	2	116.0530	0.384	4	116.5805	0.754	12	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]N[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]N[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	115.2330	0.000	1	115.2330	0.000	1	116.0530	0.384	4	116.5805	0.754	12	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|S<4>,5|H<1>}	116.6160	0.000	1	116.6160	0.000	1	116.0530	0.384	4	116.5805	0.754	12	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	117.2120	0.000	1	116.5964	1.122	5	116.5964	1.122	5	116.5805	0.754	12	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<3>,3|C<4>,6|H<1>}	116.7350	0.000	1	116.5964	1.122	5	116.5964	1.122	5	116.5805	0.754	12	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){2|C<3>,2|C<4>,6|H<1>}	116.3450	1.397	3	116.5964	1.122	5	116.5964	1.122	5	116.5805	0.754	12	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|C<4>,4|C<3>,4|H<1>}	116.9700	0.000	1	116.9700	0.000	1	117.2573	0.083	3	116.5805	0.754	12	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,4|C<3>,5|H<1>}	117.5450	0.000	1	117.5450	0.000	1	117.2573	0.083	3	116.5805	0.754	12	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	117.2570	0.000	1	117.2570	0.000	1	117.2573	0.083	3	116.5805	0.754	12	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	117.9410	0.000	1	116.7230	1.113	3	116.7230	1.113	3	116.7230	1.113	3	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,2|C<3>,7|H<1>}	116.1140	0.023	2	116.7230	1.113	3	116.7230	1.113	3	116.7230	1.113	3	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C[5a,6,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	116.8210	0.000	1	116.8210	0.000	1	115.7779	0.508	10	115.7779	0.508	10	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){3|C<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,6|H<1>}	115.6341	0.687	8	115.6341	0.472	8	115.7779	0.508	10	115.7779	0.508	10	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H){3|C<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,3|C<4>,6|H<1>}	115.8850	0.000	1	115.8850	0.000	1	115.7779	0.508	10	115.7779	0.508	10	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(CH3)2	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(CH3)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<3>,3|C<4>,4|H<1>}	117.2650	0.000	1	117.2650	0.000	1	117.2650	0.000	1	117.4667	1.128	3	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	117.5675	1.481	2	117.5675	2.195	2	117.5675	2.195	2	117.4667	1.128	3	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H)	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	115.7240	0.000	1	115.7240	0.000	1	115.7240	0.000	1	115.7240	0.000	1	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<4>,4|C<3>,4|H<1>}	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<3>,4|H<1>,5|C<4>}	116.6350	0.000	1	115.6807	0.695	3	115.6807	0.695	3	115.6807	0.695	3	116.1895	1.167	34	117.2331	2.986	167
643	466	727	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[5a,6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{2|C<4>,3|C<3>,4|H<1>}	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<3>,4|H<1>,5|C<4>}	115.2035	0.155	2	115.6807	0.695	3	115.6807	0.695	3	115.6807	0.695	3	116.1895	1.167	34	117.2331	2.986	167
643	466	813	0:SP2_SP2_SP3	C[6,6a]	C[6]	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	118.9800	0.000	1	117.4846	1.001	5	117.4846	1.001	5	117.2980	1.010	6	117.2980	1.010	6	117.2980	1.010	6
643	466	813	0:SP2_SP2_SP3	C[6,6a]	C[6]	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	116.7690	0.335	2	117.4846	1.001	5	117.4846	1.001	5	117.2980	1.010	6	117.2980	1.010	6	117.2980	1.010	6
643	466	813	0:SP2_SP2_SP3	C[6,6a]	C[6]	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	118.0130	0.000	1	117.4846	1.001	5	117.4846	1.001	5	117.2980	1.010	6	117.2980	1.010	6	117.2980	1.010	6
643	466	813	0:SP2_SP2_SP3	C[6,6a]	C[6]	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	116.8920	0.000	1	117.4846	1.001	5	117.4846	1.001	5	117.2980	1.010	6	117.2980	1.010	6	117.2980	1.010	6
643	466	813	0:SP2_SP2_SP3	C[6,6a]	C[6]	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.3650	0.000	1	116.3650	0.000	1	116.3650	0.000	1	117.2980	1.010	6	117.2980	1.010	6	117.2980	1.010	6
643	466	927	6:SP2_SP2_SP3	C[6,6a]	C[6]	B[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	B[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a,6a]-3:	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	B[6,6a,6a](C[6,6a]C[6a]C[6])2(N[6a,6a]C[6a]2)	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	B[6,6a,6a](C[6,6a]C[6a]C[6])2(N[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1
643	466	929	0:SP2_SP2_SP3	C[6,6a]	C[6]	S[6a]	3:4:2:	3:4:1:1:	3:3:	C[6,6a]-3:C[6]-4:S[6a]-2:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(S[6a]C[6a])	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2	S[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(S[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|C<4>,3|H<1>}	S[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	111.0955	0.296	8	111.0955	0.088	8	111.0955	0.088	8	111.0955	0.088	8	111.0955	0.088	8	111.0955	0.088	8
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]N[5]H)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	112.3300	0.000	1	112.3300	0.000	1	112.5145	0.068	2	111.5328	0.943	6	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]O[5]C)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	112.6990	0.000	1	112.6990	0.000	1	112.5145	0.068	2	111.5328	0.943	6	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	110.9170	0.000	1	110.9170	0.000	1	111.0420	0.585	4	111.5328	0.943	6	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2{1|C<4>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	112.0440	0.000	1	112.0440	0.000	1	111.0420	0.585	4	111.5328	0.943	6	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	111.0220	0.000	1	111.0220	0.000	1	111.0420	0.585	4	111.5328	0.943	6	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]C[6]H)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	110.1850	0.000	1	110.1850	0.000	1	111.0420	0.585	4	111.5328	0.943	6	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:2:4:	3:4:2:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	O[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	O[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	110.3290	0.000	1	110.3290	0.000	1	110.6010	0.138	3	110.6010	0.138	3	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:2:4:	3:4:2:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	110.7370	0.407	2	110.7370	0.166	2	110.6010	0.138	3	110.6010	0.138	3	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:2:4:	3:4:2:2:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:O-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]OO)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]OO){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2{4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	114.3570	0.000	1	114.3570	0.000	1	114.3570	0.000	1	114.3570	0.000	1	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:4:2:	3:3:4:1:	3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(O[6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.9450	0.000	1	115.9450	0.000	1	115.9450	0.000	1	115.9450	0.000	1	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:4:2:	3:3:4:4:	3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[6]CC)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3)	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[6]CC)(O[6a]C[6a]){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3){1|H<1>,2|C<3>,2|C<4>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){2|C<3>,4|C<4>}	110.5610	0.530	2	110.5610	0.281	2	110.5610	0.281	2	110.5610	0.281	2	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:4:2:	3:4:1:1:	3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]C[6]O)(H)2	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]C[6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	112.5790	0.000	1	112.5790	0.000	1	112.5790	0.000	1	110.9778	1.564	8	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:4:2:	3:4:1:1:	3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6,6a]HH)(H)2	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	113.1290	0.000	1	113.1290	0.000	1	110.7490	1.337	7	110.9778	1.564	8	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:4:2:	3:4:1:1:	3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)(H)2	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a]){2|C<3>,2|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,3|C<3>}	110.2457	0.544	3	110.2457	0.296	3	110.7490	1.337	7	110.9778	1.564	8	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:4:2:	3:4:1:1:	3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,3|C<3>}	111.0740	0.000	1	111.0740	0.000	1	110.7490	1.337	7	110.9778	1.564	8	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:4:2:	3:4:1:1:	3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(O[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	110.1515	0.431	2	110.1515	0.185	2	110.7490	1.337	7	110.9778	1.564	8	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6,6a]	C[6]	O[6a]	3:4:2:	3:4:2:1:	3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H)	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	111.4348	2.403	22	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6a]	C[6]	O[6a]	3:4:2:	3:4:4:1:	3:3:	C[6a]-3:C[6]-4:O[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(O[6a]C[6a])	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)2(H)	O[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(O[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	O[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	113.9460	16.554	2	111.6440	3.416	24
643	466	933	0:SP2_SP2_SP3	C[6a]	C[6]	O[6a]	4:3:2:	4:3:3:1:	3:3:	C[6]-4:C[6a]-3:O[6a]-2:	C[4x6]-4:C[5a,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[4x6]H)(C[6a]C[6a]O)(O[6a]C[6a])	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H)	O[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[5a,6]C[4x6]H)(C[6a]C[6a]O)(O[6a]C[6a]){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	O[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.8230	0.000	1	116.8230	0.000	1	116.8230	0.000	1	116.8230	0.000	1	113.9460	16.554	2	111.6440	3.416	24
643	470	643	0:SP2_SP2_SPD5	C[6a]	As	C[6a]	3:3:5:	3:3:3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:As-5:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(AsC[6a]2OO)	As(C[6a]C[6a]2)3(OC)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(AsC[6a]2OO){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3(OC)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	119.8360	1.789	6	119.8360	3.202	6	119.8360	3.202	6	119.8360	3.202	6	119.8360	3.202	6	119.8360	3.202	6
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[6,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]C)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,2|H<1>,5|C<4>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>,8|H<1>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]C){2|H<1>,3|C<4>,4|C<3>}	128.2240	0.000	1	128.2240	0.000	1	127.3785	1.430	2	127.3785	1.430	2	127.3785	1.430	2	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[6,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,3|H<1>,4|C<4>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>,8|H<1>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H){2|H<1>,3|C<4>,4|C<3>}	126.5330	0.000	1	126.5330	0.000	1	127.3785	1.430	2	127.3785	1.430	2	127.3785	1.430	2	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a,6a]	3:4:3:	3:4:4:3:	3:3:2:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<3>,2|H<1>,4|C<4>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,8|H<1>}	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	124.4150	1.184	2	124.4150	1.401	2	125.4325	1.047	6	125.4325	1.047	6	125.8877	2.323	7	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a,6a]	3:4:3:	3:4:4:3:	3:3:2:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<2>,2|H<1>,4|C<4>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,8|H<1>}	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	125.9412	0.492	4	125.9412	0.242	4	125.4325	1.047	6	125.4325	1.047	6	125.8877	2.323	7	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,3x6]-4:C[3x6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:O[6,6]-2:	C[6,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]O[6,6])(C[3x6,6a]C[6,6a]C[4x6])(C[6a,6a]C[6a,6a]C[6a])	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6])	C[6a,6a](C[6,6,6a]C[3x6,6a]C[5,3x6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]O[6,6])(C[3x6,6a]C[6,6a]C[4x6])(C[6a,6a]C[6a,6a]C[6a]){2|Si<4>,1|H<1>,1|O<2>,7|C<3>}	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6]){1|H<1>,3|C<4>,6|C<3>}	C[6a,6a](C[6,6,6a]C[3x6,6a]C[5,3x6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	128.6190	0.000	1	128.6190	0.000	1	128.6190	0.000	1	128.6190	0.000	1	125.8877	2.323	7	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[5,3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[5,3x6]C[5,6,6]2H)(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[5,3x6]C[5,6,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	126.2760	0.000	1	126.2760	0.000	1	126.2760	0.000	1	126.2760	0.000	1	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5])	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	127.8251	0.344	18	127.8251	0.118	18	127.8429	0.169	34	127.8572	0.166	36	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	128.1285	0.253	4	127.8629	0.236	16	127.8429	0.169	34	127.8572	0.166	36	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|B<4>,1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	127.3715	0.228	2	127.8629	0.236	16	127.8429	0.169	34	127.8572	0.166	36	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	128.1238	0.403	4	127.8629	0.236	16	127.8429	0.169	34	127.8572	0.166	36	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	127.8915	0.435	4	127.8629	0.236	16	127.8429	0.169	34	127.8572	0.166	36	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	127.2445	0.665	2	127.8629	0.236	16	127.8429	0.169	34	127.8572	0.166	36	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5])	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,3|C<3>}	128.1005	0.320	2	128.1005	0.103	2	128.1005	0.103	2	127.8572	0.166	36	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:Se[5]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]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[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,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[6,6]C[6,6]H)(Se[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|Se<3>,1|C<4>,1|H<1>,3|C<3>}	129.0240	0.000	1	129.0240	0.000	1	129.0240	0.000	1	128.2966	0.334	7	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O)	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	128.4235	0.083	2	128.0025	0.239	4	128.0025	0.239	4	128.2966	0.334	7	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O)	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	127.5815	0.043	2	128.0025	0.239	4	128.0025	0.239	4	128.2966	0.334	7	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O)	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|Se<3>,1|C<4>,1|H<1>,3|C<3>}	128.5210	0.556	2	128.5210	0.309	2	128.5210	0.309	2	128.2966	0.334	7	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[3x6]-3:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]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[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,5|C<3>,5|H<1>}	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[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	127.5420	0.000	1	127.5420	0.000	1	127.5420	0.000	1	126.9646	0.234	7	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]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[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,4|C<3>,5|H<1>}	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[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	127.2790	0.116	2	127.2790	0.013	2	127.2790	0.013	2	126.9646	0.234	7	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,4|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.4060	0.293	2	126.4060	0.086	2	126.4060	0.086	2	126.9646	0.234	7	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[5,6,6]-3:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]N[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[5,6,6]O[6,6]C[5])(C[5]C[5]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]N[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[5,6,6]O[6,6]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	126.9200	0.380	2	126.9200	0.145	2	126.9200	0.145	2	126.9646	0.234	7	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:4:3:	3:2:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:P[5,6,6]-3:C[5,6]-4:C[6]-3:	C[6,6,6a]-3:O[6a]-2:O-1:	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O)	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[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(O[6a]C[6a])(O)	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O){2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	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[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(O[6a]C[6a])(O){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	120.7610	0.000	1	120.7610	0.000	1	120.7610	0.000	1	120.7610	0.000	1	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>,5|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	127.6670	0.704	2	127.5740	0.177	4	127.5740	0.177	4	127.5740	0.177	4	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	127.4810	0.040	2	127.5740	0.177	4	127.5740	0.177	4	127.5740	0.177	4	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]C[5x6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]C[5x6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,8|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.2160	0.000	1	126.2160	0.000	1	126.2160	0.000	1	126.2160	0.000	1	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:4:4:3:	3:2:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6,6,6a]-3:O[6a]-2:O-1:	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O)	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[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(O[6a]C[6a])(O)	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O){1|Au<2>,2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	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[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(O[6a]C[6a])(O){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	120.6570	0.000	1	120.6570	0.000	1	120.5123	0.123	3	120.5123	0.123	3	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:4:4:3:	3:2:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6,6,6a]-3:O[6a]-2:O-1:	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O)	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[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(O[6a]C[6a])(O)	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O){1|Cu<3>,2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	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[6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(O[6a]C[6a])(O){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	120.4400	0.462	2	120.4400	0.214	2	120.5123	0.123	3	120.5123	0.123	3	127.2462	3.597	60	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3,6,6]C[6a])(C[5,6,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3,6,6]C[6a])(C[5,6,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	125.2990	0.000	1	125.2990	0.000	1	125.2990	0.000	1	125.2990	0.000	1	125.2990	0.000	1	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6]2C[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6]2C[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,9|C<3>}	C[6a](C[6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	118.7530	0.000	1	118.7530	0.000	1	119.0045	0.127	2	119.0045	0.127	2	119.3258	2.024	5	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]C)(H)	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|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[6,6a]C[6,6a]C[6a]){11|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,4|C<3>}	119.2560	0.000	1	119.2560	0.000	1	119.0045	0.127	2	119.0045	0.127	2	119.3258	2.024	5	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,3x6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[5,6]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,3x6]C[3x6]C[5,6]O[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6])	C[6a](C[6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,3x6]C[3x6]C[5,6]O[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>,4|O<2>}	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.7830	0.000	1	121.7830	0.000	1	121.7830	0.000	1	121.7830	0.000	1	119.3258	2.024	5	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,3x6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:C[5,6]-4:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,3x6]C[5,3x6]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[5,3x6]C[6,6a]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]HH)2	C[6a](C[6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,3x6]C[5,3x6]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,6|H<1>}	C[5,3x6](C[5,3x6]C[6,6a]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]HH)2{4|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	118.4185	0.282	2	118.4185	0.080	2	118.4185	0.080	2	118.4185	0.080	2	119.3258	2.024	5	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,4x6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,4x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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[6a](C[6,6a]C[5,4x6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,6|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[6a](C[6,6a]C[5,4x6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])	C[6a](C[6,6a]C[5,5,6,6]C[6,6a,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6]){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[5,5,6,6]C[6,6a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.2240	0.000	1	120.2240	0.000	1	120.2240	0.000	1	120.2240	0.000	1	120.2790	0.318	5	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[6a](C[6,6a]C[5,5,6,6]C[6,6a,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[5,5,6,6]C[6,6a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.0615	0.233	2	120.0615	0.054	2	120.4513	0.483	3	120.4513	0.483	3	120.2790	0.318	5	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[6a](C[6,6a]C[5,5,6,6]C[6,6a,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[5,5,6,6]C[6,6a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.2310	0.000	1	121.2310	0.000	1	120.4513	0.483	3	120.4513	0.483	3	120.2790	0.318	5	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5,5]-4:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)	C[6a](C[6,6a]C[5,5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[5,5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	119.8170	0.000	1	119.8170	0.000	1	119.8170	0.000	1	119.8170	0.000	1	120.2790	0.318	5	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:2:4:4:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,5|C<4>,6|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	123.2210	0.000	1	123.2210	0.000	1	122.2505	1.884	2	122.2505	1.884	2	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:2:4:4:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,5|C<4>,6|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.2800	0.000	1	121.2800	0.000	1	122.2505	1.884	2	122.2505	1.884	2	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5,5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	123.4600	0.000	1	123.4600	0.000	1	123.4600	0.000	1	123.4600	0.000	1	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:C[5]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	123.0990	0.000	1	122.6988	0.090	4	122.6988	0.090	4	121.7318	3.311	8	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:C[5]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	122.5653	0.169	3	122.6988	0.090	4	122.6988	0.090	4	121.7318	3.311	8	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(N[5,6]C[5,6]C[6])(C[5]O[5]O)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(N[5,6]C[5,6]C[6])(C[5]O[5]O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	122.8850	0.000	1	122.8850	0.000	1	122.8850	0.000	1	121.7318	3.311	8	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5,6]C[6]N[5])(C[5]C[5]O)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,5,6]C[5,5]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,1|O<2>,2|N<2>,3|C<4>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5,6]C[6]N[5])(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	117.5710	0.000	1	117.5710	0.000	1	117.5710	0.000	1	121.7318	3.311	8	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]C)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.5820	0.000	1	121.5820	0.000	1	121.3015	0.157	2	121.7318	3.311	8	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.0210	0.000	1	121.0210	0.000	1	121.3015	0.157	2	121.7318	3.311	8	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OH)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OH){1|H<1>,2|C<4>,3|C<3>}	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5])	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,9|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	124.1450	0.000	1	124.1450	0.000	1	124.1450	0.000	1	124.1450	0.000	1	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|Br<1>,1|O<1>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	118.9380	0.000	1	118.8705	0.009	2	118.8705	0.009	2	119.2317	0.396	3	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	118.8030	0.000	1	118.8705	0.009	2	118.8705	0.009	2	119.2317	0.396	3	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|N<3>,4|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.9540	0.000	1	119.9540	0.000	1	119.9540	0.000	1	119.2317	0.396	3	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	119.1570	0.490	2	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	119.6520	0.000	1	119.6520	0.000	1	119.6520	0.000	1	119.1570	0.490	2	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|C<4>}	118.7155	0.385	2	118.7155	0.149	2	118.7155	0.149	2	118.7155	0.149	2	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6,6]O[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(O[5]C[5])	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5,6,6]O[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.8035	0.306	2	119.8035	0.094	2	119.8035	0.094	2	119.8035	0.094	2	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O){1|C<4>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	122.8750	0.000	1	122.8750	0.000	1	122.8750	0.000	1	120.7756	2.066	5	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]N[5]2)(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6,6a]N[5]2)(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)2	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5,6]N[5]2)(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[6,6a]N[5]2)(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)2{1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|N<3>}	120.2507	0.959	4	120.2507	0.919	4	120.2507	0.919	4	120.7756	2.066	5	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<1>,5|H<1>,9|C<3>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.8440	0.000	1	118.8440	0.000	1	118.8440	0.000	1	118.8440	0.000	1	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.8060	0.041	2	121.8060	0.002	2	121.8060	0.002	2	121.6987	0.035	3	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<2>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4840	0.000	1	121.4840	0.000	1	121.4840	0.000	1	121.6987	0.035	3	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	123.5115	0.579	2	123.5115	0.335	2	123.5115	0.335	2	123.3041	10.185	8	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	121.2170	0.225	2	121.2170	0.051	2	124.6238	15.580	4	123.3041	10.185	8	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	128.0305	0.515	2	128.0305	0.266	2	124.6238	15.580	4	123.3041	10.185	8	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{6|C<3>,7|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.4575	0.979	2	120.4575	0.959	2	120.4575	0.959	2	123.3041	10.185	8	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	119.0970	0.000	1	119.1857	0.161	4	119.1857	0.161	4	118.7797	0.288	9	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	119.6850	0.000	1	119.1857	0.161	4	119.1857	0.161	4	118.7797	0.288	9	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	118.7140	0.000	1	119.1857	0.161	4	119.1857	0.161	4	118.7797	0.288	9	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	119.2470	0.000	1	119.1857	0.161	4	119.1857	0.161	4	118.7797	0.288	9	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	118.7840	0.000	1	118.7840	0.000	1	118.4548	0.159	5	118.7797	0.288	9	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	118.3520	0.694	2	118.3970	0.247	3	118.4548	0.159	5	118.7797	0.288	9	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	118.4870	0.000	1	118.3970	0.247	3	118.4548	0.159	5	118.7797	0.288	9	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	118.2990	0.000	1	118.2990	0.000	1	118.4548	0.159	5	118.7797	0.288	9	120.9109	5.412	48	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5,5,6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[6a,6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	118.7700	0.000	1	118.7700	0.000	1	118.7700	0.000	1	118.7700	0.000	1	118.7700	0.000	1	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[3x6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6,6a]C[5,6a]C[3x6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6,6]C[5,6,6a]C[5,6a]C[3x6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	122.8060	0.000	1	122.8060	0.000	1	122.8060	0.000	1	121.6200	2.252	3	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	121.6200	2.252	3	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[5,6]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[6,6]N[5,6]N[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[6,6]N[5,6]N[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,3|C<4>}	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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	122.1210	0.000	1	122.1210	0.000	1	122.1210	0.000	1	121.6200	2.252	3	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2H){2|N<3>,5|C<3>,8|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.0520	0.000	1	121.0520	0.000	1	121.0520	0.000	1	122.8972	1.548	4	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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]HH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	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]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	123.5123	0.229	3	123.5123	0.053	3	123.5123	0.053	3	122.8972	1.548	4	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.3950	0.000	1	118.3950	0.000	1	118.5815	0.070	2	118.5815	0.070	2	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.7680	0.000	1	118.7680	0.000	1	118.5815	0.070	2	118.5815	0.070	2	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,5|C<3>,5|H<1>}	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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	119.6244	2.758	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]N[5,6,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6]N[5,6,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	117.2350	0.000	1	117.2350	0.000	1	117.2350	0.000	1	119.6244	2.758	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[5,6]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6])(N[5]C[5]C)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6])(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.0570	0.000	1	120.0570	0.000	1	120.0570	0.000	1	119.6244	2.758	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|I<1>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.0720	0.255	2	121.0720	0.065	2	121.0720	0.065	2	119.6244	2.758	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	122.9810	0.000	1	120.2882	2.389	5	120.2882	2.389	5	120.5702	2.388	6	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	119.9170	0.055	2	120.2882	2.389	5	120.2882	2.389	5	120.5702	2.388	6	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	119.0630	0.000	1	120.2882	2.389	5	120.2882	2.389	5	120.5702	2.388	6	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	119.5630	0.000	1	120.2882	2.389	5	120.2882	2.389	5	120.5702	2.388	6	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]N[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6]C[5,6]N[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,8|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	121.9800	0.000	1	121.9800	0.000	1	121.9800	0.000	1	120.5702	2.388	6	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O[5]-2:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]N[6a]O)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(N[6a]C[6a,6a]C)(O)	C[6,6a](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]N[6a]O){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(N[6a]C[6a,6a]C)(O){2|C<3>,2|C<4>,2|O<2>}	119.5725	0.006	2	119.5725	0.000	2	119.5725	0.000	2	119.5725	0.000	2	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,6|H<1>}	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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	116.9280	0.000	1	116.9280	0.000	1	118.9497	1.848	4	119.7413	6.485	6	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	119.7320	0.156	2	119.6237	0.047	3	118.9497	1.848	4	119.7413	6.485	6	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<4>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	119.4070	0.000	1	119.6237	0.047	3	118.9497	1.848	4	119.7413	6.485	6	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[5,6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	118.2130	0.000	1	118.2130	0.000	1	118.2130	0.000	1	119.7413	6.485	6	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[5]-4:N[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<4>,5|C<3>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,6|C<3>,7|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	124.4360	0.000	1	124.4360	0.000	1	124.4360	0.000	1	119.7413	6.485	6	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	121.5010	0.000	1	121.5010	0.000	1	121.5010	0.000	1	120.5080	1.972	2	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:C[5]-4:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5a,6a]C[5a,6a]2)(H)	C[6,6a](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,3|C<3>,4|C<4>}	119.5150	0.000	1	119.5150	0.000	1	119.5150	0.000	1	120.5080	1.972	2	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:O[5,6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.9250	0.000	1	117.9250	0.000	1	117.9250	0.000	1	117.9250	0.000	1	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,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]C)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,4|C<3>}	122.7640	0.000	1	122.7640	0.000	1	122.7640	0.000	1	122.7640	0.000	1	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,3x6]C[5,6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6,6a]C[5,6,6]C[6,6a])(H)	C[6,6a](C[5,6,6]C[5,3x6]C[5,6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6,6a]C[5,6,6]C[6,6a])(H){1|O<2>,4|C<3>,4|C<4>}	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,3x6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,5,3x6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,5|H<1>}	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.1440	0.000	1	120.1440	0.000	1	120.1440	0.000	1	121.3928	2.417	4	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.6640	0.000	1	123.6640	0.000	1	121.8090	2.587	3	121.3928	2.417	4	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8050	0.000	1	120.8050	0.000	1	121.8090	2.587	3	121.3928	2.417	4	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|W<6>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	120.9580	0.000	1	120.9580	0.000	1	121.8090	2.587	3	121.3928	2.417	4	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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]HH)(C[6]C[6]O)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|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]HH)(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	122.0220	0.000	1	122.0220	0.000	1	122.0870	0.010	3	121.7730	0.262	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<4>,2|C<3>,2|C<4>,2|O<2>,6|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[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	122.1195	0.120	2	122.1195	0.014	2	122.0870	0.010	3	121.7730	0.262	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,5|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[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>}	121.6810	0.000	1	121.6810	0.000	1	121.6810	0.000	1	121.7730	0.262	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6,6]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]S)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]S){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,4|C<4>}	120.9230	0.000	1	120.9230	0.000	1	120.9230	0.000	1	121.7730	0.262	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[5a,6a]O)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[5a,6a]O)(H){2|C<3>,4|C<4>}	122.6130	0.000	1	122.6130	0.000	1	122.6130	0.000	1	121.9874	1.613	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	120.5870	0.000	1	120.5870	0.000	1	120.5870	0.000	1	121.9874	1.613	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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]HH)(C[6]C[6]HH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<4>,1|O<2>,3|C<4>,8|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]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,5|C<4>}	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.9874	1.613	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,4|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,4|C<4>}	121.7570	0.000	1	121.7570	0.000	1	121.7570	0.000	1	121.9874	1.613	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[5,6a]H)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[5,6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	123.8210	0.000	1	123.8210	0.000	1	123.8210	0.000	1	121.9874	1.613	5	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.8720	0.000	1	118.8720	0.000	1	118.8720	0.000	1	119.3012	1.879	10	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,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]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){4|C<3>,6|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	118.9210	0.000	1	118.9210	0.000	1	120.4620	2.066	4	119.3012	1.879	10	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.6620	0.000	1	119.6620	0.000	1	120.4620	2.066	4	119.3012	1.879	10	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]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[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|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[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.1030	0.000	1	122.1030	0.000	1	120.4620	2.066	4	119.3012	1.879	10	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]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[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|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[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1620	0.000	1	121.1620	0.000	1	120.4620	2.066	4	119.3012	1.879	10	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H){4|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	118.2745	0.553	4	118.2745	0.305	4	118.4584	0.398	5	119.3012	1.879	10	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.1940	0.000	1	119.1940	0.000	1	118.4584	0.398	5	119.3012	1.879	10	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(CCCN)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C){3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(CCCN){2|C<3>,2|C<4>,2|H<1>}	122.3840	0.000	1	122.3840	0.000	1	122.3840	0.000	1	122.3840	0.000	1	120.5848	3.494	59	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	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[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	125.4555	0.425	2	125.4555	0.181	2	125.4555	0.181	2	125.4555	0.181	2	124.4223	3.293	3	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5])	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,3|O<2>,6|C<3>}	122.3560	0.000	1	122.3560	0.000	1	122.3560	0.000	1	122.3560	0.000	1	124.4223	3.293	3	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H)	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H){1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	121.8980	0.156	2	121.8980	0.024	2	121.8980	0.024	2	121.8980	0.024	2	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,6|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.0050	0.000	1	121.0150	0.808	3	121.0150	0.808	3	121.0272	1.147	9	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	120.5200	0.382	2	121.0150	0.808	3	121.0150	0.808	3	121.0272	1.147	9	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.1263	0.362	3	122.1263	0.131	3	122.1263	0.131	3	121.0272	1.147	9	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	119.6680	0.000	1	119.6680	0.000	1	119.9403	0.065	3	121.0272	1.147	9	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.0765	0.139	2	120.0765	0.019	2	119.9403	0.065	3	121.0272	1.147	9	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.8030	0.000	1	120.8030	0.000	1	120.8025	0.166	6	120.8025	0.166	6	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	120.5895	0.037	2	120.5895	0.001	2	120.8025	0.166	6	120.8025	0.166	6	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.9443	0.582	3	120.9443	0.339	3	120.8025	0.166	6	120.8025	0.166	6	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.4716	0.432	5	122.4716	0.187	5	122.2680	0.398	6	122.2680	0.398	6	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6]){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.2500	0.000	1	121.2500	0.000	1	122.2680	0.398	6	122.2680	0.398	6	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H)	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6]){2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H){1|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	120.6940	0.000	1	120.6940	0.000	1	120.6940	0.000	1	120.6940	0.000	1	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){2|H<1>,8|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|O<2>,4|C<3>}	122.6830	0.000	1	123.0610	0.138	3	123.0610	0.138	3	123.0610	0.138	3	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){2|H<1>,8|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	123.2500	0.249	2	123.0610	0.138	3	123.0610	0.138	3	123.0610	0.138	3	121.5311	1.116	27	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:2:2:3:	3:3:1:	N[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:O[5,6]-2:O[5]-2:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H)	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH)	C[6a](C[6,6a]N[6,6a]C[5,6])(C[6a]N[6a]N)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[5,6])(C[6a]N[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	122.8520	0.000	1	122.8520	0.000	1	122.8520	0.000	1	122.8520	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[5,6a]H){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	119.6550	0.000	1	119.6550	0.000	1	119.6550	0.000	1	120.5630	1.649	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4710	0.000	1	121.4710	0.000	1	121.4710	0.000	1	120.5630	1.649	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5,5a]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,5a]O[5,6]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H)	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,5a]O[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.5210	0.000	1	123.5210	0.000	1	123.5210	0.000	1	123.5210	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]N[6]O[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]N[6]O[5]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2{3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	119.8050	0.000	1	119.8050	0.000	1	119.8050	0.000	1	119.8050	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:2:4:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:O[5]-2:P[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]P[5])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]P[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,3|C<3>}	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	121.6195	0.566	4	121.4966	0.315	5	121.4966	0.315	5	120.3596	1.491	12	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,8|C<3>}	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	121.0050	0.000	1	121.4966	0.315	5	121.4966	0.315	5	120.3596	1.491	12	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,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[6,6a]O){3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	118.4735	0.752	2	118.4735	0.565	2	118.4735	0.565	2	120.3596	1.491	12	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|N<2>,3|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	120.0000	0.000	1	120.0000	0.000	1	120.0813	0.087	3	120.3596	1.491	12	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,3|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	120.1220	0.404	2	120.1220	0.164	2	120.0813	0.087	3	120.3596	1.491	12	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[5]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]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[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|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[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	119.8205	0.064	2	119.8205	0.004	2	119.8205	0.004	2	120.3596	1.491	12	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	122.5760	0.000	1	122.5760	0.000	1	122.5760	0.000	1	121.6847	4.579	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5380	0.000	1	120.5380	0.000	1	120.5380	0.000	1	121.6847	4.579	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	120.6210	0.047	2	120.6210	0.002	2	119.9870	1.207	3	121.6847	4.579	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	118.7190	0.000	1	118.7190	0.000	1	119.9870	1.207	3	121.6847	4.579	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.3590	0.000	2	124.3590	0.000	2	124.3590	0.000	2	121.6847	4.579	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5]-3:C[6]-4:N[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]N[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]N[5]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5]){1|C<4>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	119.5510	0.000	1	119.5510	0.000	1	119.5510	0.000	1	119.5510	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){2|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	119.4420	0.000	1	121.0650	5.268	2	121.0650	5.268	2	121.0650	5.268	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.6880	0.000	1	121.0650	5.268	2	121.0650	5.268	2	121.0650	5.268	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:4:3:	3:3:2:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]C)	C[6a](C[6,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|O<2>,2|C<4>,3|C<3>}	123.7965	0.070	2	123.7965	0.005	2	123.7965	0.005	2	123.7965	0.005	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.5820	0.000	1	121.5820	0.000	1	121.5820	0.000	1	121.5820	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.4375	0.118	2	119.4375	0.014	2	119.4375	0.014	2	118.0580	5.716	3	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]N)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|F<1>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]N)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	115.2990	0.000	1	115.2990	0.000	1	115.2990	0.000	1	118.0580	5.716	3	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	118.9575	0.363	2	118.9575	0.132	2	118.9575	0.132	2	118.9575	0.132	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H){2|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	123.9470	0.000	1	123.9470	0.000	1	123.9470	0.000	1	123.9470	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:2:	3:3:1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[5,6]C[5,6]O[5]O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH)	C[6a](C[6,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[5,6]C[5,6]O[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	123.9950	0.000	1	123.9950	0.000	1	123.9950	0.000	1	120.9056	2.510	8	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:2:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:N[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2{1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	121.5143	0.275	3	121.5143	0.076	3	121.0810	0.802	4	120.9056	2.510	8	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:2:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:N[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2{1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H){1|C<4>,2|N<2>,3|C<3>}	119.7810	0.000	1	119.7810	0.000	1	121.0810	0.802	4	120.9056	2.510	8	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:2:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.5100	0.000	1	119.5100	0.000	1	119.6420	0.355	3	120.9056	2.510	8	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:2:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.1230	0.000	1	119.1230	0.000	1	119.6420	0.355	3	120.9056	2.510	8	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:2:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H){1|C<3>,1|I<1>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.2930	0.000	1	120.2930	0.000	1	119.6420	0.355	3	120.9056	2.510	8	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:2:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.4190	0.000	1	119.4190	0.000	1	120.0625	0.828	2	120.0625	0.828	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:2:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.7060	0.000	1	120.7060	0.000	1	120.0625	0.828	2	120.0625	0.828	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:2:4:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.1620	0.000	1	118.1620	0.000	1	118.1620	0.000	1	118.1620	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:1:	3:2:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6]C[5,6]N[5]H)(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6]C[5,6]N[5]H)(C[6a]O[6a]O){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H){1|N<3>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	117.6360	0.000	1	117.6360	0.000	1	117.6360	0.000	1	117.6360	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7943	0.875	7	120.7943	0.766	7	120.3061	0.941	11	120.2708	3.019	24	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6580	0.071	2	119.6580	0.005	2	120.3061	0.941	11	120.2708	3.019	24	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.4030	0.000	1	119.4030	0.000	1	120.3061	0.941	11	120.2708	3.019	24	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.0880	0.000	1	119.0880	0.000	1	120.3061	0.941	11	120.2708	3.019	24	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.6310	0.000	1	119.6310	0.000	1	120.2409	5.000	13	120.2708	3.019	24	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.8460	0.000	1	121.8460	0.000	1	120.2409	5.000	13	120.2708	3.019	24	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|S<4>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.0660	0.000	1	119.0660	0.000	1	120.2409	5.000	13	120.2708	3.019	24	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	122.0532	2.315	5	122.0532	5.359	5	120.2409	5.000	13	120.2708	3.019	24	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.3990	0.000	1	119.3990	0.000	1	120.2409	5.000	13	120.2708	3.019	24	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<5>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	118.7160	0.000	2	118.2310	0.314	4	120.2409	5.000	13	120.2708	3.019	24	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	117.7460	0.000	2	118.2310	0.314	4	120.2409	5.000	13	120.2708	3.019	24	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.0550	0.000	1	123.0550	0.000	1	123.0550	0.000	1	122.0105	2.182	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[5,6]C[5,6]N[5]O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[5,6]C[5,6]N[5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	120.9660	0.000	1	120.9660	0.000	1	120.9660	0.000	1	122.0105	2.182	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,4|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.9995	0.073	2	120.9995	0.005	2	120.9995	0.005	2	120.5547	1.094	6	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.3323	1.274	4	120.3323	1.624	4	120.3323	1.624	4	120.5547	1.094	6	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:1:	3:2:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.9590	0.000	1	117.9590	0.000	1	117.9590	0.000	1	117.9590	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	120.6810	0.000	1	120.6810	0.000	1	120.6810	0.000	1	120.8912	3.428	15	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.7190	0.290	2	122.7190	0.084	2	121.6577	0.813	7	120.8912	3.428	15	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<4>,2|H<1>,3|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6675	0.006	2	121.2332	0.410	5	121.6577	0.813	7	120.8912	3.428	15	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6103	0.536	3	121.2332	0.410	5	121.6577	0.813	7	120.8912	3.428	15	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.8610	0.000	1	123.8610	0.000	1	121.1193	7.098	3	120.8912	3.428	15	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	118.5400	0.000	1	119.7485	2.921	2	121.1193	7.098	3	120.8912	3.428	15	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.9570	0.000	1	119.7485	2.921	2	121.1193	7.098	3	120.8912	3.428	15	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4285	0.235	2	121.4285	0.055	2	119.4313	5.359	4	120.8912	3.428	15	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.4340	0.253	2	117.4340	0.064	2	119.4313	5.359	4	120.8912	3.428	15	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	125.4415	0.381	2	125.4415	0.145	2	125.4415	0.145	2	125.4415	0.145	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH){1|O<2>,2|C<4>,5|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.8260	0.000	1	119.8260	0.000	1	119.8260	0.000	1	119.8260	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:2:	3:3:4:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2O)(C[6a]C[6a]C)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2O)(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|O<2>}	121.0700	0.167	2	121.0700	0.028	2	121.0700	0.028	2	121.0700	0.028	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|N<2>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N){3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.1490	2.475	2	122.1490	6.125	2	122.1490	6.125	2	120.3784	7.421	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	117.5450	0.000	1	117.7730	0.519	3	118.9950	6.319	4	120.3784	7.421	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,5|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	117.1940	0.000	1	117.7730	0.519	3	118.9950	6.319	4	120.3784	7.421	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|F<1>,4|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	118.5800	0.000	1	117.7730	0.519	3	118.9950	6.319	4	120.3784	7.421	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	122.6610	0.000	1	122.6610	0.000	1	118.9950	6.319	4	120.3784	7.421	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	122.8175	0.374	2	122.8175	0.140	2	122.8175	0.140	2	120.3784	7.421	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	117.4930	0.000	1	117.4930	0.000	1	117.4930	0.000	1	120.3784	7.421	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)2(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,9|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)2(C[6]C[6]HO){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.3450	0.000	1	120.3450	0.000	1	120.3450	0.000	1	122.4700	9.031	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5]-4:C[5]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]AlH)(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H){1|Al<5>,1|O<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]AlH)(C[5]C[5,6a]CH)(C[6]C[6,6a]CO){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,2|C<3>,2|C<4>}	124.5950	0.000	1	124.5950	0.000	1	124.5950	0.000	1	122.4700	9.031	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]H)(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]H)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3470	0.000	1	121.3470	0.000	1	121.3470	0.000	1	121.3470	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8610	0.000	1	120.8610	0.000	1	120.8610	0.000	1	121.4301	2.138	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H){10|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.2300	0.236	2	123.2300	0.056	2	121.8565	3.673	4	121.4301	2.138	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.1760	0.000	1	119.1760	0.000	1	121.8565	3.673	4	121.4301	2.138	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.7900	0.000	1	121.7900	0.000	1	121.8565	3.673	4	121.4301	2.138	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8620	0.338	2	120.8620	0.114	2	120.8620	0.114	2	121.4301	2.138	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	119.3240	0.000	1	121.1095	0.380	11	121.4595	1.816	12	121.4595	1.816	12	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	121.2880	0.181	10	121.1095	0.380	11	121.4595	1.816	12	121.4595	1.816	12	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	125.3100	0.000	1	125.3100	0.000	1	121.4595	1.816	12	121.4595	1.816	12	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	123.1428	0.448	4	123.1428	0.200	4	123.1428	0.200	4	123.1428	0.200	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:2:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:O[5]-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]O[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]O[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|O<2>}	123.2950	0.000	1	123.2950	0.000	1	123.2950	0.000	1	123.2950	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	124.0080	0.000	1	124.0080	0.000	1	124.0080	0.000	1	124.1680	0.051	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	124.3280	0.000	1	124.3280	0.000	1	124.3280	0.000	1	124.1680	0.051	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|O<2>}	122.4040	0.000	1	122.2825	0.030	2	122.2825	0.030	2	122.2825	0.030	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|O<2>}	122.1610	0.000	1	122.2825	0.030	2	122.2825	0.030	2	122.2825	0.030	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.9890	0.450	2	123.9890	0.202	2	123.9890	0.202	2	123.9890	0.202	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.1270	0.000	1	122.1270	0.000	1	122.0330	0.061	3	121.1684	1.528	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	122.2190	0.000	1	122.2190	0.000	1	122.0330	0.061	3	121.1684	1.528	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7530	0.000	1	121.7530	0.000	1	122.0330	0.061	3	121.1684	1.528	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]O[6a]S[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(O)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]O[6a]S[6])(C[6a]C[6a,6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(O){1|C<4>,1|H<1>,1|S<2>,2|C<3>,3|O<2>}	119.8715	0.619	2	119.8715	0.383	2	119.8715	0.383	2	121.1684	1.528	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.6070	0.000	1	120.6070	0.000	1	120.6070	0.000	1	120.6070	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.5800	0.000	1	118.9133	0.115	3	120.1516	6.428	5	121.8169	12.392	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	119.2580	0.000	1	118.9133	0.115	3	120.1516	6.428	5	121.8169	12.392	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.9020	0.000	1	118.9133	0.115	3	120.1516	6.428	5	121.8169	12.392	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	124.6530	0.000	1	124.6530	0.000	1	120.1516	6.428	5	121.8169	12.392	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	119.3650	0.000	1	119.3650	0.000	1	120.1516	6.428	5	121.8169	12.392	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	125.7460	0.000	1	125.9800	0.110	2	125.9800	0.110	2	121.8169	12.392	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	126.2140	0.000	1	125.9800	0.110	2	125.9800	0.110	2	121.8169	12.392	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|I<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	122.1310	0.000	1	120.8475	3.295	2	120.8475	3.295	2	120.8475	3.295	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|I<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|H<1>,1|I<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	119.5640	0.000	1	120.8475	3.295	2	120.8475	3.295	2	120.8475	3.295	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	118.7720	0.000	1	118.7720	0.000	1	118.7720	0.000	1	120.8360	8.520	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-2:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(S[5]C[5])(COO)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(S[5]C[5])(COO){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	122.9000	0.000	1	122.9000	0.000	1	122.9000	0.000	1	120.8360	8.520	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH){4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.5700	0.000	1	122.5700	0.000	1	122.5700	0.000	1	121.8160	1.137	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.0620	0.000	1	121.0620	0.000	1	121.0620	0.000	1	121.8160	1.137	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<2>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.6700	0.250	2	124.9663	0.295	3	122.1264	7.422	7	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<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])(N[5,6]C[6]S[5])(H){1|N<3>,2|H<1>,3|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	125.5590	0.000	1	124.9663	0.295	3	122.1264	7.422	7	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.9965	0.730	4	119.9965	0.533	4	122.1264	7.422	7	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.2410	0.000	1	122.2410	0.000	1	123.3160	2.311	2	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<2>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	124.3910	0.000	1	124.3910	0.000	1	123.3160	2.311	2	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.4440	0.000	1	121.4440	0.000	1	121.4440	0.000	1	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2470	0.000	1	120.2470	0.000	1	119.9335	0.338	4	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.1020	0.000	1	119.1020	0.000	1	119.9335	0.338	4	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.1925	0.301	2	120.1925	0.090	2	119.9335	0.338	4	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.0210	0.000	1	120.1515	0.034	2	119.4011	0.414	7	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.2820	0.000	1	120.1515	0.034	2	119.4011	0.414	7	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	118.7070	0.000	1	118.7070	0.000	1	119.4011	0.414	7	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	119.5830	0.000	1	119.5830	0.000	1	119.4011	0.414	7	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	118.9450	0.000	1	118.8010	0.041	2	119.4011	0.414	7	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H){1|O<2>,2|C<3>,3|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	118.6570	0.000	1	118.8010	0.041	2	119.4011	0.414	7	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|S<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	119.6130	0.000	1	119.6130	0.000	1	119.4011	0.414	7	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]S[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]N[5,6]S[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<3>}	118.5580	0.000	2	118.5580	0.000	2	118.5580	0.000	2	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[5,5,6]-3:C[6,6a]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.4470	0.000	1	119.4470	0.000	1	119.4470	0.000	1	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[5,6,6]-3:C[6,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.0225	0.511	2	121.0225	0.261	2	121.0225	0.261	2	120.6581	4.166	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:2:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O){1|O<2>,1|S<2>,4|C<3>}	117.8500	0.000	1	117.8500	0.000	1	117.8500	0.000	1	117.8500	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[5,6])(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H){2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	121.9055	0.646	4	121.9055	0.417	4	121.2235	0.523	18	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,2|O<2>,4|C<3>}	121.1187	0.351	3	121.1187	0.123	3	121.2235	0.523	18	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])2(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,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])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])2(H){4|O<2>,5|C<3>}	121.0041	0.705	11	121.0041	0.497	11	121.2235	0.523	18	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]C)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]C)(H){1|N<3>,2|O<2>,3|C<3>}	121.8520	0.052	2	121.8520	0.003	2	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,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])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(H){3|C<3>,3|O<2>}	121.9030	0.000	1	121.9030	0.000	1	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H){2|O<2>,4|C<3>}	118.9760	0.000	1	118.9760	0.000	1	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){2|O<2>,4|C<3>}	118.9875	0.179	2	118.8693	0.058	3	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|O<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	118.6330	0.000	1	118.8693	0.058	3	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|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])2(O[5]C[5]){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.3460	0.484	4	120.3460	0.234	4	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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[6,6a]C[6,6a]2)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|O<2>,3|C<3>}	119.5600	0.000	1	119.5600	0.000	1	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[5a]C[6a])(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[5a]C[6a])(H){1|N<2>,1|S<2>,3|C<3>,3|O<2>}	121.8490	0.000	1	121.8490	0.000	1	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){3|C<3>,3|O<2>}	122.5310	0.000	1	122.5310	0.000	1	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){3|C<3>,3|O<2>}	121.0814	0.386	5	121.0814	0.149	5	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(O[5]C[5]){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|O<2>,3|C<3>}	121.4377	0.183	3	121.5914	0.580	37	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,2|O<2>,3|C<3>}	120.4772	0.821	4	121.5914	0.580	37	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<2>,2|O<2>,3|C<3>}	120.9410	0.000	1	121.5914	0.580	37	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|O<2>,3|C<3>}	121.7375	0.692	22	121.5914	0.580	37	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){3|C<3>,3|O<2>}	121.9274	0.578	7	121.5914	0.580	37	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H){1|H<1>,2|O<2>,3|C<3>}	119.4920	0.000	1	119.4920	0.000	1	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|C<4>,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])2(O[5]C[5]){1|Si<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,1|O<2>,3|C<3>}	118.8056	1.968	8	118.8056	3.871	8	120.9344	2.027	65	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(H){1|H<1>,2|O<2>,5|C<3>}	121.0250	0.485	4	121.0250	0.235	4	121.0250	0.235	4	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,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])2(S[5]C[5]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>}	122.0790	0.096	2	122.0790	0.009	2	122.4636	0.379	11	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(S[5]C[5]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>}	122.4995	0.285	4	122.5491	0.427	9	122.4636	0.379	11	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(S[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>}	122.4670	0.837	2	122.5491	0.427	9	122.4636	0.379	11	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(S[5]C[5]){1|O<2>,1|S<1>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>}	123.3015	0.125	2	122.5491	0.427	9	122.4636	0.379	11	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(S[5]C[5]){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>}	121.4070	0.000	1	122.5491	0.427	9	122.4636	0.379	11	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:Se[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(Se[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(Se[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Se<2>,1|N<3>,1|O<2>,3|C<3>}	122.2390	0.300	2	122.2390	0.090	2	122.2390	0.090	2	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,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[6]C[6]H)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	118.8230	0.000	2	118.8230	0.000	2	118.9140	0.011	4	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	119.0050	0.000	2	119.0050	0.000	2	118.9140	0.011	4	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,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[6]C[6]O)(O[5]C[5]){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.4850	0.000	1	120.4850	0.000	1	120.4850	0.000	1	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6a]-3:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]O[5,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]O[5,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|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[6a]C[6a]N[6a])(O[5,6]C[5,6]){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	125.6400	0.000	1	125.6400	0.000	1	125.6400	0.000	1	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,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])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	119.3780	0.000	1	120.3990	6.055	4	119.9065	4.217	6	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	119.1130	0.000	1	120.3990	6.055	4	119.9065	4.217	6	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.0220	0.000	1	120.3990	6.055	4	119.9065	4.217	6	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	124.0830	0.000	1	120.3990	6.055	4	119.9065	4.217	6	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,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])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	118.9950	0.000	1	118.9215	0.011	2	119.9065	4.217	6	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,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])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	118.8480	0.000	1	118.9215	0.011	2	119.9065	4.217	6	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|O<2>,3|C<3>}	122.1335	0.136	2	122.1335	0.019	2	122.1335	0.019	2	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	122.8580	0.470	2	122.8580	0.220	2	122.8580	0.220	2	121.1176	2.144	116	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,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])2(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){2|O<2>,4|C<3>}	120.5630	0.000	1	120.5630	0.000	1	120.5630	0.000	1	120.3932	0.177	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,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])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.9720	0.000	1	120.4370	0.432	2	120.3367	0.246	3	120.3932	0.177	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	120.9020	0.000	1	120.4370	0.432	2	120.3367	0.246	3	120.3932	0.177	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,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])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	120.1360	0.000	1	120.1360	0.000	1	120.3367	0.246	3	120.3932	0.177	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	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[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<2>,1|N<3>,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[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[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O){1|O<2>,5|C<3>}	116.8360	0.000	1	117.1520	0.200	2	117.1520	0.200	2	117.6653	0.254	10	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	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[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<2>,1|N<3>,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[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[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O){1|O<2>,5|C<3>}	117.4680	0.000	1	117.1520	0.200	2	117.1520	0.200	2	117.6653	0.254	10	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|N<3>,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])2(C[5]N[5]O){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O){1|O<2>,5|C<3>}	117.7936	0.452	8	117.7936	0.205	8	117.7936	0.205	8	117.6653	0.254	10	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6,6a]C[5,5a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6,6a]C[5,5a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	123.7200	0.000	1	123.7200	0.000	1	123.7200	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	118.1270	0.000	1	118.1270	0.000	1	118.1270	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|O<2>,2|N<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(Br){1|H<1>,1|O<2>,4|C<3>}	123.9260	0.000	1	123.9260	0.000	1	123.9260	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|C<4>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	117.5902	0.301	4	117.5902	0.091	4	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){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])2{1|O<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H){1|O<2>,5|C<3>}	119.4975	0.405	2	119.4975	0.164	2	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{4|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	118.9130	0.000	1	118.9130	0.000	1	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N[6])(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{4|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N[6])(H){1|H<1>,7|C<3>}	118.2630	0.000	1	118.2630	0.000	1	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,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])2{1|N<3>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	120.9250	0.199	2	120.9250	0.040	2	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|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])2{1|N<3>,2|N<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.3765	0.009	2	119.7068	1.154	10	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|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])2{1|N<3>,3|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	118.8388	0.313	4	119.7068	1.154	10	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|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])2{1|N<3>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.2400	1.297	4	119.7068	1.154	10	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|O<2>,2|N<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,4|C<3>}	121.0760	0.000	1	121.4845	0.835	16	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.2698	0.800	12	121.4845	0.835	16	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,4|C<3>}	123.5160	0.000	1	121.4845	0.835	16	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|O<2>,4|C<3>}	121.9610	0.433	2	121.4845	0.835	16	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,4|C<3>}	120.1268	1.171	4	120.1268	1.372	4	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N[5a])(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<2>,6|C<3>}	119.9360	0.000	1	119.9360	0.000	1	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,4|C<3>}	119.1870	0.000	1	119.1870	0.000	1	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<4>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,4|C<3>}	118.4523	0.852	10	119.0900	1.232	17	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|N<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	120.0445	0.327	2	119.0900	1.232	17	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	119.9836	0.892	5	119.0900	1.232	17	119.8875	2.190	59	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	117.9310	0.000	1	117.9310	0.000	1	119.1530	2.987	2	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	120.3750	0.000	1	120.3750	0.000	1	119.1530	2.987	2	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[5])(H)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	118.9480	0.000	1	118.9480	0.000	1	118.9480	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,4|C<3>}	118.8565	0.499	2	118.8565	0.249	2	118.8777	0.126	3	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,4|C<3>}	118.9200	0.000	1	118.9200	0.000	1	118.8777	0.126	3	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|N<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|O<1>,2|N<3>,3|C<3>}	118.4550	0.000	1	118.4550	0.000	1	118.4550	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	123.5500	0.000	1	123.5500	0.000	1	123.5500	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]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]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,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[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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[5a,6a]H)(H){1|N<3>,1|O<2>,4|C<3>}	120.2520	0.000	1	120.2520	0.000	1	120.4377	0.321	12	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]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]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,6|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]O)(H){1|O<2>,5|C<3>}	119.5440	0.000	1	119.5440	0.000	1	120.4377	0.321	12	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,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]C[5]Si)(C[6]C[6]O){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	119.9180	0.000	1	119.9180	0.000	1	120.4377	0.321	12	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|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[5a]C[5])(C[6]C[6]H){1|S<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	120.0670	0.000	1	120.0670	0.000	1	120.4377	0.321	12	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	121.0645	0.893	2	120.7520	0.338	5	120.4377	0.321	12	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	120.8360	0.000	1	120.7520	0.338	5	120.4377	0.321	12	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	120.3975	0.317	2	120.7520	0.338	5	120.4377	0.321	12	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){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[6,6a]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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.0640	0.000	1	120.4125	0.243	2	120.4377	0.321	12	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.7610	0.000	1	120.4125	0.243	2	120.4377	0.321	12	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]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]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,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]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.8870	0.000	1	120.8870	0.000	1	120.4377	0.321	12	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5a]-3:N[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|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[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	119.4600	0.000	1	119.4600	0.000	1	119.4600	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|N<2>,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[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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|N<3>,3|C<3>}	122.2970	0.000	1	122.2970	0.000	1	122.2970	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5]){1|N<2>,1|N<3>,3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	119.3360	0.345	2	119.3360	0.119	2	119.3360	0.119	2	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6a](C[6,6a]C[6,6a]C[5,6])2(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])2(H){2|N<3>,2|O<2>,5|C<3>}	120.5210	0.011	2	120.5210	0.000	2	120.5210	0.000	2	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|O<2>,2|N<3>,3|C<3>}	121.3493	0.747	22	121.3493	0.558	22	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,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])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	121.4100	0.000	1	121.5956	0.627	28	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,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])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|N<4>,1|O<2>,3|C<3>}	119.7955	0.210	2	121.5956	0.627	28	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,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])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|O<2>,3|C<3>}	120.4385	0.098	2	121.5956	0.627	28	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,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])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|N<3>,3|C<3>}	121.8608	0.526	23	121.5956	0.627	28	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[5a]C[6a])(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[5a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>,2|O<2>,3|C<3>}	120.8220	0.000	1	120.8220	0.000	1	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	120.8550	0.000	1	121.4563	0.675	19	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|N<3>,1|N<4>,1|O<2>,3|C<3>}	120.7140	0.303	2	121.4563	0.675	19	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|O<2>,2|N<3>,3|C<3>}	121.6257	0.843	15	121.4563	0.675	19	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|O<2>,2|N<3>,3|C<3>}	121.0000	0.000	1	121.4563	0.675	19	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<1>,1|N<3>,1|O<2>,3|C<3>}	122.1270	0.000	1	122.2670	0.775	44	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	121.5630	0.000	1	122.2670	0.775	44	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|O<2>,3|C<3>}	121.9602	0.920	6	122.2670	0.775	44	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|N<3>,3|C<3>}	122.1738	0.828	24	122.2670	0.775	44	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,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])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|O<2>,3|C<3>}	122.6070	0.968	4	122.2670	0.775	44	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,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])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|N<3>,3|C<3>}	122.7122	1.014	8	122.2670	0.775	44	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5]){1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|N<3>,3|C<3>}	121.5651	0.387	8	121.5651	0.150	8	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|N<2>,1|O<1>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|N<3>,3|C<3>}	121.2826	0.518	10	121.4473	0.164	20	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|N<3>,3|C<3>}	121.6120	0.132	10	121.4473	0.164	20	121.7188	0.700	142	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,5a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	119.9650	0.000	1	119.9650	0.000	1	119.9650	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	119.1800	0.000	1	119.1800	0.000	1	119.1800	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	117.2835	0.029	2	117.2835	0.001	2	117.2835	0.001	2	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]2C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]2C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.1590	0.000	1	120.1590	0.000	1	120.1590	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.0826	0.732	5	120.0826	0.535	5	120.0826	0.535	5	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.2440	0.000	1	124.2440	0.000	1	124.3895	0.042	2	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	124.5350	0.000	1	124.5350	0.000	1	124.3895	0.042	2	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.7390	0.000	1	117.7390	0.000	1	117.7390	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.1320	0.000	1	120.1320	0.000	1	120.1320	0.000	1	121.0151	2.168	245	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,5|C<3>}	120.0550	0.000	1	120.0550	0.000	1	120.0550	0.000	1	120.0550	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.4540	0.452	4	124.2807	0.195	6	124.0573	0.512	7	120.9189	7.090	21	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	123.9340	0.062	2	124.2807	0.195	6	124.0573	0.512	7	120.9189	7.090	21	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.7170	0.000	1	122.7170	0.000	1	124.0573	0.512	7	120.9189	7.090	21	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	118.1835	0.374	6	118.1835	0.140	6	118.1911	0.117	7	120.9189	7.090	21	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){1|O<2>,3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	118.2370	0.000	1	118.2370	0.000	1	118.1911	0.117	7	120.9189	7.090	21	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,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])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	120.9189	7.090	21	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:N[5]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]H)(N[5]C[5,6]S)(C[6]O[6]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]H)(N[5]C[5,6]S)(C[6]O[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.5810	0.000	1	120.5810	0.000	1	120.5810	0.000	1	120.9189	7.090	21	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[5]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]HH){2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.9140	0.158	2	119.9140	0.025	2	119.9140	0.025	2	120.9189	7.090	21	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	122.6670	0.000	2	122.6670	0.000	2	122.6670	0.000	2	120.9189	7.090	21	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,1|S<3>,2|C<4>}	118.3490	0.000	1	118.3490	0.000	1	118.3490	0.000	1	120.9189	7.090	21	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:2:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O){1|H<1>,1|S<4>,2|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	116.0190	0.000	1	116.0190	0.000	1	116.0190	0.000	1	116.0190	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.1855	0.067	2	120.1855	0.005	2	120.1855	0.005	2	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.4520	0.000	2	122.4520	0.000	2	121.9548	2.276	12	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	121.4890	0.000	1	121.4890	0.000	1	121.9548	2.276	12	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.0005	1.584	4	123.0005	2.508	4	121.9548	2.276	12	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5540	0.000	1	120.5540	0.000	1	121.9548	2.276	12	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.1500	0.000	1	123.1500	0.000	1	121.9548	2.276	12	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|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[5,6]C[5,6]C[5]H)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8380	0.059	2	119.8380	0.004	2	121.9548	2.276	12	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,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[5,6]C[5a,6]C[5]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.6830	0.000	1	121.6830	0.000	1	121.9548	2.276	12	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7760	0.290	6	120.7760	0.084	6	120.6220	0.236	7	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.6980	0.000	1	119.6980	0.000	1	120.6220	0.236	7	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	118.7550	0.000	1	118.7550	0.000	1	120.0497	1.069	6	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.8810	0.000	1	120.4415	0.994	4	120.0497	1.069	6	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.3370	0.000	1	120.4415	0.994	4	120.0497	1.069	6	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.7160	0.000	1	120.4415	0.994	4	120.0497	1.069	6	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.8320	0.000	1	120.4415	0.994	4	120.0497	1.069	6	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.7770	0.000	1	119.7770	0.000	1	120.0497	1.069	6	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.1350	0.000	1	121.2892	1.890	5	121.3099	1.327	7	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.8278	0.765	4	121.2892	1.890	5	121.3099	1.327	7	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H){2|O<1>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9180	0.000	1	120.9180	0.000	1	121.3099	1.327	7	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.8050	0.000	1	121.8050	0.000	1	121.3099	1.327	7	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.2980	0.000	1	119.2980	0.000	1	121.0780	8.036	3	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.3470	0.000	1	124.3470	0.000	1	121.0780	8.036	3	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.5890	0.000	1	119.5890	0.000	1	121.0780	8.036	3	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	120.6410	0.000	1	120.6410	0.000	1	120.6410	0.000	1	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.9760	0.000	1	120.9760	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.9790	0.000	1	118.9790	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.2300	0.000	1	119.2300	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.4480	0.000	1	122.4480	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(C[5]C[5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(C[5]C[5]CC)(H){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4800	0.000	1	120.4800	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.6750	0.000	1	119.6750	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3310	0.000	1	119.3310	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.9080	0.000	1	121.6283	5.558	3	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|C<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.0760	0.000	1	121.6283	5.558	3	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.9010	0.000	1	121.6283	5.558	3	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.3350	0.000	1	119.3350	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.4020	0.000	1	123.4020	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.3520	0.000	1	118.3520	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.8310	0.000	1	121.8310	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.4910	0.000	1	122.4910	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H){1|H<1>,2|C<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.1380	0.000	1	124.1380	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.5460	0.000	1	118.2480	0.067	3	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.0990	0.000	2	118.2480	0.067	3	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	119.0900	0.000	1	119.0758	0.271	6	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.9280	0.000	1	119.0758	0.271	6	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.2615	1.087	2	119.0758	0.271	6	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.7940	0.000	1	119.0758	0.271	6	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.1200	0.000	1	119.0758	0.271	6	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.6270	0.000	1	121.6270	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H){1|N<2>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.6795	0.194	2	121.6795	0.038	2	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.1893	0.314	3	120.1893	0.099	3	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.0470	0.000	1	120.0470	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.5040	0.000	1	119.5040	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.0120	0.000	1	119.0120	0.000	1	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1530	0.000	1	122.9440	6.415	2	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.7350	0.000	1	122.9440	6.415	2	120.4099	3.235	36	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[5,6,6]-3:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H){3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6385	0.047	2	120.6385	0.002	2	120.6385	0.002	2	120.7574	2.625	76	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5]){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.5900	0.651	2	122.5900	0.423	2	122.5900	0.423	2	122.5900	0.423	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH){1|O<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.3835	1.002	2	122.3835	1.004	2	122.3835	1.004	2	122.3835	1.004	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:2:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	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]S[6]H)(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|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]S[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O){1|C<4>,1|O<2>,4|C<3>}	117.5590	0.000	1	117.4203	0.110	6	117.4203	0.110	6	117.4203	0.110	6	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:2:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	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]S[6]H)(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|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]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a,6a])(O){1|C<4>,1|O<2>,4|C<3>}	117.3926	0.363	5	117.4203	0.110	6	117.4203	0.110	6	117.4203	0.110	6	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,5|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[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,6|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.3637	0.601	3	119.3637	0.361	3	119.3637	0.361	3	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	117.9815	0.299	2	117.9815	0.089	2	119.5170	2.610	5	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.2610	0.000	1	120.2610	0.000	1	119.5170	2.610	5	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.7700	0.000	1	121.7700	0.000	1	119.5170	2.610	5	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.5910	0.000	1	119.5910	0.000	1	119.5170	2.610	5	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|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[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,4|C<3>}	118.7330	0.000	1	118.7330	0.000	1	118.7330	0.000	1	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|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[6,6a]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.2640	0.000	1	121.2640	0.000	1	119.7342	0.986	10	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	119.8640	0.000	1	119.8640	0.000	1	119.7342	0.986	10	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,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[6]C[6]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,4|C<3>}	121.4300	0.000	1	121.4300	0.000	1	119.7342	0.986	10	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,7|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.6710	0.000	1	118.6710	0.000	1	119.7342	0.986	10	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.7075	0.262	2	118.7075	0.069	2	119.7342	0.986	10	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,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[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	119.8260	0.151	3	119.8260	0.023	3	119.7342	0.986	10	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.2200	0.000	1	119.2200	0.000	1	119.7342	0.986	10	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.1115	0.043	2	120.1115	0.002	2	120.1115	0.002	2	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5,6]C[6,6a]2C[5])(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.9172	0.251	4	123.9172	0.063	4	123.9172	0.063	4	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	124.4055	0.975	2	124.4055	0.951	2	124.4055	0.951	2	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2){2|C<4>,5|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.0670	0.000	1	119.0670	0.000	1	119.0670	0.000	1	120.5543	4.384	28	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.8880	0.247	2	120.8880	0.061	2	120.8880	0.061	2	120.8880	0.061	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5a]C[5,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5a]C[5,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3){1|O<2>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.1340	0.000	1	120.1340	0.000	1	120.1340	0.000	1	120.4712	3.313	13	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.5265	0.432	2	120.5265	0.187	2	120.3690	0.168	3	120.4712	3.313	13	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|O<2>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	120.0540	0.000	1	120.0540	0.000	1	120.3690	0.168	3	120.4712	3.313	13	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	119.4780	0.000	1	119.4780	0.000	1	121.1733	9.258	3	120.4712	3.313	13	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	119.3560	0.000	1	119.3560	0.000	1	121.1733	9.258	3	120.4712	3.313	13	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	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]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	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]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	124.6860	0.000	1	124.6860	0.000	1	121.1733	9.258	3	120.4712	3.313	13	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]O[5]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,5|C<3>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]O[5]HH){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.6590	0.064	2	122.6590	0.004	2	122.6590	0.004	2	120.4712	3.313	13	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	118.5020	0.000	1	118.5020	0.000	1	118.7083	0.036	3	120.4712	3.313	13	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	118.8115	0.091	2	118.8115	0.008	2	118.7083	0.036	3	120.4712	3.313	13	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5]-3:C[6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	119.9210	0.000	1	119.9210	0.000	1	119.9210	0.000	1	120.4712	3.313	13	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	119.9240	0.000	1	119.9240	0.000	1	123.3407	8.933	3	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	125.0490	0.597	2	125.0490	0.356	2	123.3407	8.933	3	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(Cl)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Cl<1>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8935	0.086	2	120.8935	0.007	2	120.8935	0.007	2	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.5180	0.000	1	120.5180	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9460	0.000	1	120.9460	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4180	0.000	1	120.4180	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.6550	0.000	1	118.6550	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.2790	0.000	1	118.1653	0.085	3	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.1085	0.388	2	118.1653	0.085	3	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.6780	0.000	1	118.8270	0.044	2	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.9760	0.000	1	118.8270	0.044	2	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H){3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6640	0.000	1	121.6640	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.3110	0.000	1	121.3110	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.9810	0.000	1	121.9810	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.9870	0.000	1	118.9870	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	115.9060	0.000	1	115.9060	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.3670	0.000	1	118.6295	0.138	2	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.8920	0.000	1	118.6295	0.138	2	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	119.4860	0.000	1	119.4860	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4800	0.000	1	120.2782	0.679	6	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.6870	0.000	1	120.2782	0.679	6	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6255	0.335	4	120.2782	0.679	6	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.1050	0.049	2	119.1050	0.002	2	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	125.3760	0.000	1	125.3760	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	121.9180	0.000	1	121.6178	0.059	4	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	121.5177	0.169	3	121.6178	0.059	4	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	119.8790	0.518	2	119.8790	0.268	2	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.8070	0.000	1	121.8070	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	124.1750	0.000	1	124.1750	0.000	1	120.1984	3.371	34	120.4758	4.123	39	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(CH3)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.5720	0.000	1	118.5720	0.000	1	118.5720	0.000	1	118.5720	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]O[5]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.8190	0.000	1	120.8190	0.000	1	120.8190	0.000	1	120.6440	0.061	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.4690	0.000	1	120.4690	0.000	1	120.4690	0.000	1	120.6440	0.061	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	121.0030	0.177	2	121.0030	0.031	2	120.8280	0.108	3	121.0936	1.008	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	120.4780	0.000	1	120.4780	0.000	1	120.8280	0.108	3	121.0936	1.008	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.2100	0.000	1	120.2100	0.000	1	121.4920	3.287	2	121.0936	1.008	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CC)(O[5]C[5])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CC)(O[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	122.7740	0.000	1	122.7740	0.000	1	121.4920	3.287	2	121.0936	1.008	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.8825	0.182	2	123.8825	0.033	2	123.8825	0.033	2	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[3,5]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[3,5]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.8280	0.000	1	119.8280	0.000	1	119.8280	0.000	1	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.4990	0.000	1	122.6145	2.489	2	119.9832	4.171	8	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.7300	0.000	1	122.6145	2.489	2	119.9832	4.171	8	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.2520	0.000	1	120.2520	0.000	1	119.9832	4.171	8	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.3270	0.000	2	118.3270	0.000	2	119.9832	4.171	8	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.2730	0.074	2	118.2730	0.005	2	119.9832	4.171	8	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.1850	0.000	1	121.1850	0.000	1	119.9832	4.171	8	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(C[5]C[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9910	0.000	1	120.9910	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.8060	0.000	1	121.8060	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.7850	0.000	1	123.7850	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.3050	0.000	1	118.3050	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.6080	0.000	1	119.6080	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	118.9170	0.325	2	118.9170	0.106	2	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.2600	0.000	1	119.2600	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.4520	0.000	1	119.4520	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4310	0.209	2	120.4310	0.044	2	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.1880	0.000	1	120.1880	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.1650	0.000	1	119.9313	0.476	3	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3145	0.265	2	119.9313	0.476	3	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.5750	0.000	1	118.5750	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8510	0.076	3	119.5170	0.450	4	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.5150	0.000	1	119.5170	0.450	4	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.0670	0.000	1	119.0670	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4470	0.000	1	121.4470	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6660	0.000	1	121.6660	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	122.3400	0.000	1	122.3400	0.000	1	120.1270	1.802	24	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(O){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	120.3810	0.000	1	120.3810	0.000	1	120.3810	0.000	1	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.9680	0.000	1	119.0782	2.180	6	119.5011	1.842	10	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|S<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	117.5520	0.000	1	119.0782	2.180	6	119.5011	1.842	10	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.4803	0.634	3	119.0782	2.180	6	119.5011	1.842	10	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.5080	0.000	1	119.0782	2.180	6	119.5011	1.842	10	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.2800	0.219	2	119.2800	0.048	2	119.5011	1.842	10	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H){1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.9000	0.000	1	120.9000	0.000	1	119.5011	1.842	10	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0820	0.000	1	121.0820	0.000	1	119.5011	1.842	10	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.4650	0.000	1	121.4650	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.0220	0.000	1	119.0220	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3520	0.000	1	120.3520	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.9020	0.000	1	122.9020	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.5305	0.604	4	121.5305	0.365	4	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	122.2100	0.000	1	122.2100	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6650	0.000	1	120.6335	0.002	2	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6020	0.000	1	120.6335	0.002	2	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	122.4620	0.000	1	122.4620	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.4270	0.000	1	120.6240	0.078	2	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.8210	0.000	1	120.6240	0.078	2	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|N<2>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.3500	0.000	1	120.6835	0.222	2	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.0170	0.000	1	120.6835	0.222	2	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.8780	1.366	2	120.8780	1.866	2	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.9020	0.000	1	123.9020	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.0750	0.000	1	124.0750	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5,5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5,5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.8590	1.086	2	121.8590	1.180	2	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2720	0.000	1	121.2720	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1770	0.000	1	121.6890	0.198	3	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.9450	0.057	2	121.6890	0.198	3	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.3760	0.000	1	120.3760	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.3010	0.000	1	120.5840	0.168	4	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6783	0.446	3	120.5840	0.168	4	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1552	0.517	4	121.1552	0.267	4	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.5035	0.054	2	121.5035	0.003	2	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.1530	0.000	1	122.1530	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0475	0.296	2	121.0475	0.088	2	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6350	0.122	2	121.6350	0.015	2	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.1210	0.000	1	122.1210	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|S<2>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	118.8620	0.000	1	118.8620	0.000	1	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	118.6320	0.034	2	118.6320	0.001	2	121.1807	1.336	46	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.7480	0.000	1	119.7480	0.000	1	119.4038	0.385	4	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.9130	0.386	2	119.2890	0.499	3	119.4038	0.385	4	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.0410	0.000	1	119.2890	0.499	3	119.4038	0.385	4	120.6024	2.237	96	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.6340	0.000	1	125.0100	3.787	2	125.0100	3.787	2	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	126.3860	0.000	1	125.0100	3.787	2	125.0100	3.787	2	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.3030	0.000	1	117.3030	0.000	1	117.3030	0.000	1	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(O)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(O){2|C<4>,3|C<3>,3|O<2>}	122.2700	0.000	1	122.2700	0.000	1	122.2700	0.000	1	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[5]C[5]C)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.5010	0.000	1	119.5010	0.000	1	119.5010	0.000	1	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.4710	0.052	2	119.4710	0.003	2	119.6983	0.156	3	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]I)(H)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.1530	0.000	1	120.1530	0.000	1	119.6983	0.156	3	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:S-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]S)(SC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]S)(SC){2|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	123.5570	0.000	1	123.5570	0.000	1	123.5570	0.000	1	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.2666	0.311	8	121.2666	0.097	8	121.1604	1.180	16	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	117.9030	0.000	1	117.9030	0.000	1	121.1604	1.180	16	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.5044	0.957	7	121.5044	0.917	7	121.1604	1.180	16	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.3080	0.000	1	122.3080	0.000	1	122.3080	0.000	1	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.8670	0.000	1	117.8670	0.000	1	117.8670	0.000	1	121.1292	3.639	27	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	118.5950	0.000	1	118.5950	0.000	1	118.5950	0.000	1	121.2295	4.966	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|H<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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	125.1020	0.000	1	125.1020	0.000	1	125.1020	0.000	1	121.2295	4.966	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.7240	0.000	1	123.7240	0.000	1	123.7240	0.000	1	121.2295	4.966	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(COO)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	124.0130	0.000	1	124.0130	0.000	1	120.7230	8.316	3	121.2295	4.966	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.0780	0.629	2	119.0780	0.396	2	120.7230	8.316	3	121.2295	4.966	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.0160	0.000	1	120.0160	0.000	1	120.5267	0.228	3	121.2295	4.966	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.7820	0.253	2	120.7820	0.064	2	120.5267	0.228	3	121.2295	4.966	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,4|C<3>,5|H<1>}	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[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	122.2150	0.000	1	122.2150	0.000	1	122.2150	0.000	1	121.2295	4.966	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.1400	0.000	1	120.1400	0.000	1	120.1400	0.000	1	121.2295	4.966	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	118.2215	0.190	2	118.2215	0.036	2	118.5337	0.310	3	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	119.1580	0.000	1	119.1580	0.000	1	118.5337	0.310	3	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	118.0560	0.000	1	118.0560	0.000	1	120.2743	3.694	3	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]S[6])(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]S[6])(C[6a]C[5,6a]H){1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,1|S<4>,2|C<3>,3|C<4>}	121.3835	0.080	2	121.3835	0.006	2	120.2743	3.694	3	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	121.3570	0.000	1	121.3570	0.000	1	121.4654	2.887	5	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	119.2410	0.000	1	119.2410	0.000	1	121.4654	2.887	5	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	123.9410	0.000	1	123.9410	0.000	1	121.4654	2.887	5	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.9200	0.000	1	120.9200	0.000	1	121.4654	2.887	5	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|O<2>}	121.8680	0.000	1	121.8680	0.000	1	121.4654	2.887	5	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	124.8150	0.000	1	124.8150	0.000	1	124.8150	0.000	1	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(CH3){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	122.0800	0.000	1	122.0800	0.000	1	122.0800	0.000	1	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]N[6])(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]N[6])(CH3){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.0920	0.000	1	121.0920	0.000	1	121.3390	2.544	4	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(N[5,6]C[5]C[6])(CF3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(N[5,6]C[5]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	120.3075	0.329	2	120.3075	0.108	2	121.3390	2.544	4	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]S[6])(CF3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]S[6])(CF3){1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>}	123.6490	0.000	1	123.6490	0.000	1	121.3390	2.544	4	120.9413	4.014	17	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:2:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a])(O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	118.0080	0.000	1	118.0080	0.000	1	118.2993	0.303	3	118.2993	0.303	3	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:2:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a])(O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	118.9340	0.000	1	118.9340	0.000	1	118.2993	0.303	3	118.2993	0.303	3	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:2:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a])(O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	117.9560	0.000	1	117.9560	0.000	1	118.2993	0.303	3	118.2993	0.303	3	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	119.1910	0.000	1	119.1910	0.000	1	118.7043	0.178	3	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.4800	0.000	1	118.4800	0.000	1	118.7043	0.178	3	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,1|S<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.4420	0.000	1	118.4420	0.000	1	118.7043	0.178	3	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5,5]C[5]3)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5,5]C[5]3)(H){1|O<2>,3|H<1>,3|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:Br-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]Br)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(C[5]C[5,6a]HO)(Br)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]Br)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(C[5]C[5,6a]HO)(Br){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	125.7210	0.000	1	125.7210	0.000	1	125.7210	0.000	1	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(Br)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(Br){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	120.1590	0.366	2	120.1590	0.134	2	121.2430	3.592	3	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H){1|Br<1>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.4110	0.000	1	123.4110	0.000	1	121.2430	3.592	3	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,6|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.3220	0.000	1	120.3220	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	119.5220	0.000	1	119.5220	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.2610	0.000	1	125.2610	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	118.2325	0.448	2	118.2325	0.200	2	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	118.8615	0.035	2	118.8615	0.001	2	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	119.9060	0.000	1	118.9750	1.734	2	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	118.0440	0.000	1	118.9750	1.734	2	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	117.9580	0.000	1	117.9580	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.4140	0.554	2	123.4140	0.307	2	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	126.4570	0.000	1	126.4570	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.1647	1.052	3	122.1647	1.106	3	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.5920	0.000	1	124.5920	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6043	0.413	3	120.6043	0.171	3	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.4380	0.000	1	120.4380	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.6850	0.000	1	123.6850	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.6810	0.000	1	122.6810	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.0820	0.000	1	124.0820	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.7790	0.000	1	123.7790	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.8370	0.000	1	120.8370	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]O[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]O[5]C)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.4430	0.000	1	122.4430	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.8230	0.956	2	123.0205	0.360	4	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<2>,1|S<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.2900	0.000	1	123.0205	0.360	4	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.1460	0.000	1	123.0205	0.360	4	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9190	0.000	1	120.9190	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8000	0.000	1	120.8000	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5870	0.000	1	121.5870	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7900	0.000	1	120.7900	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	119.3100	0.000	1	119.3100	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	121.4810	0.000	1	121.4810	0.000	1	121.5216	4.637	37	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	122.1500	2.361	3	122.1500	5.573	3	121.4870	5.072	5	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	118.7830	0.000	1	120.4925	5.845	2	121.4870	5.072	5	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	122.2020	0.000	1	120.4925	5.845	2	121.4870	5.072	5	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.9000	0.000	1	124.9000	0.000	1	124.9000	0.000	1	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	121.0610	0.000	1	121.0610	0.000	1	121.0610	0.000	1	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	117.9410	0.000	1	117.9410	0.000	1	117.9410	0.000	1	121.4092	5.004	53	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,2|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	121.6800	0.000	1	121.6800	0.000	1	121.0225	0.865	2	120.8455	0.380	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	120.3650	0.000	1	120.3650	0.000	1	121.0225	0.865	2	120.8455	0.380	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN){2|C<4>,2|H<1>,4|C<3>}	120.6685	0.388	2	120.6685	0.151	2	120.6685	0.151	2	120.8455	0.380	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.0070	0.000	1	121.0070	0.000	1	121.0070	0.000	1	119.9172	3.502	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.7410	0.000	1	118.7410	0.000	1	120.7777	5.671	4	119.9172	3.502	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.8450	0.000	1	119.8450	0.000	1	120.7777	5.671	4	119.9172	3.502	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC){1|C<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	124.2100	0.000	1	124.2100	0.000	1	120.7777	5.671	4	119.9172	3.502	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.3150	0.000	1	120.3150	0.000	1	120.7777	5.671	4	119.9172	3.502	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.8680	0.000	1	119.8680	0.000	1	119.8680	0.000	1	119.9172	3.502	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:S[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]C[6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5]){1|C<4>,1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	118.7360	0.000	1	118.7360	0.000	1	118.7360	0.000	1	119.9172	3.502	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	118.3360	0.000	1	118.3360	0.000	1	118.2665	0.010	2	119.9172	3.502	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	118.1970	0.000	1	118.1970	0.000	1	118.2665	0.010	2	119.9172	3.502	9	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|O<2>}	123.7730	1.144	2	123.7730	1.309	2	123.7730	1.309	2	122.9546	0.859	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>,3|C<4>}	122.0520	0.191	2	122.0520	0.036	2	122.6272	0.492	5	122.9546	0.859	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>,3|C<4>}	123.7530	0.000	1	123.0107	0.414	3	122.6272	0.492	5	122.9546	0.859	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|O<2>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>,3|C<4>}	122.6395	0.028	2	123.0107	0.414	3	122.6272	0.492	5	122.9546	0.859	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.0300	0.000	1	120.0300	0.000	1	120.0593	0.041	3	120.9278	1.599	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	119.8720	0.000	1	119.8720	0.000	1	120.0593	0.041	3	120.9278	1.599	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5]C[5]HH)(COO)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5]C[5]HH)(COO){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.2760	0.000	1	120.2760	0.000	1	120.0593	0.041	3	120.9278	1.599	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,4|C<3>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	122.8040	0.000	1	122.8040	0.000	1	122.2305	0.658	2	120.9278	1.599	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.6570	0.000	1	121.6570	0.000	1	122.2305	0.658	2	120.9278	1.599	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3){1|Cl<1>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	119.0030	0.000	1	119.0030	0.000	1	120.8583	20.407	3	120.3414	10.733	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(CCHH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(CCHH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	117.5640	0.000	1	117.5640	0.000	1	120.8583	20.407	3	120.3414	10.733	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	126.0080	0.000	1	126.0080	0.000	1	120.8583	20.407	3	120.3414	10.733	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:S-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H)	C[6,6a](C[5,6]C[5,6]C[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H){1|S<4>,2|C<3>,3|C<4>}	119.5660	0.337	2	119.5660	0.113	2	119.5660	0.113	2	120.3414	10.733	5	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4100	0.530	2	121.4100	0.281	2	121.4100	0.281	2	120.7519	5.015	10	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5,6,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,5,6,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.6350	0.000	1	120.6350	0.000	1	120.6350	0.000	1	120.7519	5.015	10	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.3235	0.094	2	118.3235	0.009	2	118.8215	0.912	4	120.7519	5.015	10	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.3195	1.317	2	119.3195	1.735	2	118.8215	0.912	4	120.7519	5.015	10	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	125.7240	0.000	1	125.7240	0.000	1	125.7240	0.000	1	120.7519	5.015	10	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.9810	0.000	1	121.9810	0.000	1	121.9810	0.000	1	120.7519	5.015	10	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.0730	0.000	1	121.0730	0.000	1	121.0730	0.000	1	120.7519	5.015	10	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.8940	0.000	1	120.8940	0.000	1	120.8940	0.000	1	119.9205	3.874	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.9710	0.000	1	116.9710	0.000	1	119.5960	5.178	3	119.9205	3.874	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.9085	0.145	2	120.9085	0.021	2	119.5960	5.178	3	119.9205	3.874	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4850	0.000	1	121.4850	0.000	1	120.1275	3.686	2	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.7700	0.000	1	118.7700	0.000	1	120.1275	3.686	2	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.6760	0.000	1	118.6760	0.000	1	118.6760	0.000	1	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.0010	0.000	1	122.0010	0.000	1	122.0010	0.000	1	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3210	0.000	1	119.3210	0.000	1	120.6515	3.540	2	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.9820	0.000	1	121.9820	0.000	1	120.6515	3.540	2	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H){1|C<4>,1|N<3>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.7960	0.000	1	118.7960	0.000	1	118.5465	0.125	2	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.2970	0.000	1	118.2970	0.000	1	118.5465	0.125	2	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.2880	0.000	1	120.2880	0.000	1	120.2880	0.000	1	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|Ir<6>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.3210	2.642	2	120.6943	5.330	6	120.6943	5.330	6	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.0135	0.042	2	120.6943	5.330	6	120.6943	5.330	6	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.7485	3.318	2	120.6943	5.330	6	120.6943	5.330	6	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6130	0.000	1	121.6130	0.000	1	121.6130	0.000	1	120.3372	3.242	16	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.5130	0.000	1	122.5130	0.000	1	122.5130	0.000	1	122.5130	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]O)(COO)	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.8680	0.000	1	126.8680	0.000	1	126.8680	0.000	1	126.8680	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	121.7655	0.757	2	121.7655	0.574	2	122.3238	0.643	4	122.3238	0.643	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){4|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	122.8820	0.328	2	122.8820	0.108	2	122.3238	0.643	4	122.3238	0.643	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.6540	0.000	1	120.6540	0.000	1	120.5693	0.121	3	121.6470	5.059	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.5270	0.481	2	120.5270	0.231	2	120.5693	0.121	3	121.6470	5.059	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.3565	0.281	2	120.3565	0.079	2	120.3565	0.079	2	121.6470	5.059	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6]){1|O<2>,3|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	123.8508	2.494	4	123.8508	6.219	4	123.8508	6.219	4	121.6470	5.059	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.4870	0.000	1	119.4870	0.000	1	120.1465	0.870	2	121.6470	5.059	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.8060	0.000	1	120.8060	0.000	1	120.1465	0.870	2	121.6470	5.059	11	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){12|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,4|C<3>}	121.5080	1.080	2	121.5080	1.167	2	121.7270	0.728	3	123.4127	4.202	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){11|C<3>,1|N<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	122.1650	0.000	1	122.1650	0.000	1	121.7270	0.728	3	123.4127	4.202	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){1|C<2>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	124.3510	2.895	2	124.3510	8.380	2	124.6770	2.945	4	123.4127	4.202	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	125.0030	0.174	2	125.0030	0.030	2	124.6770	2.945	4	123.4127	4.202	7	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<2>,2|N<3>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	122.1370	0.107	2	122.1370	0.012	2	122.1370	0.012	2	122.1370	0.012	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.3590	0.640	4	122.3590	0.410	4	122.3590	0.410	4	122.3590	0.410	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[3x5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[3x5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[3x5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H){1|O<1>,2|H<1>,2|O<2>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.6630	0.000	1	124.6630	0.000	1	124.6630	0.000	1	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[3x5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[3x5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[3x5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.6830	0.942	2	120.6830	0.887	2	120.6830	0.887	2	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2390	0.000	1	121.2560	0.001	2	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2730	0.000	1	121.2560	0.001	2	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.7490	0.000	1	123.7490	0.000	1	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3070	0.016	2	121.2798	0.052	4	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5280	0.000	1	121.2798	0.052	4	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9770	0.000	1	121.2798	0.052	4	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.3730	0.000	1	123.6165	0.119	2	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.8600	0.000	1	123.6165	0.119	2	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.3000	0.000	1	122.3000	0.000	1	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.4220	0.102	2	122.4220	0.010	2	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6540	0.000	1	121.2620	0.307	2	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8700	0.000	1	121.2620	0.307	2	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1735	0.155	2	121.4397	0.225	3	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.9720	0.000	1	121.4397	0.225	3	121.9176	0.929	17	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	119.1330	0.000	1	119.1330	0.000	1	120.0813	0.715	3	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5555	0.284	2	120.5555	0.080	2	120.0813	0.715	3	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.8290	0.000	1	118.8290	0.000	1	119.0755	0.122	2	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3220	0.000	1	119.3220	0.000	1	119.0755	0.122	2	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[5,5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]N[5,5,6]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]N[5,5,6]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	121.4711	1.978	26	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	119.5590	0.184	2	119.5590	0.034	2	119.5590	0.034	2	121.4527	6.244	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	124.8220	0.000	1	123.3465	4.354	2	123.3465	4.354	2	121.4527	6.244	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	121.8710	0.000	1	123.3465	4.354	2	123.3465	4.354	2	121.4527	6.244	4	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	121.6040	12.560	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6]-4:N[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:Si-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[5,6])(H)	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,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[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[5,6])(H){1|Si<4>,1|H<1>,3|C<3>,3|C<4>}	124.1100	0.000	1	124.1100	0.000	1	124.1100	0.000	1	121.6040	12.560	2	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,5,6]-4:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6]C[3,5,6]C[5,5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a]C[6,6a]C[6a])(OH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6]C[3,5,6]C[5,5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|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[6,6a]C[6,6a]C[6a])(OH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.8070	0.000	1	121.8070	0.000	1	121.8070	0.000	1	121.8070	0.000	1	120.9235	3.377	1096	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[3x5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[3x5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:N[3x5,6]-3:O[5,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x5,6]C[5,5,6,6]N[3x5,6]O[5,6])(C[6a]C[6a]H)2	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x5,6]C[5,5,6,6]N[3x5,6]O[5,6])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[6a](C[6a]C[3x5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7135	0.211	2	120.7135	0.045	2	120.7135	0.045	2	120.7135	0.045	2	121.0554	0.808	8	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[3x5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3x5,6]-4:C[6a]-3:C[6a]-3:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x5,6]C[4,5,5,6,6]C[5,5,6,6]C[5,5])(C[6a]C[6a]H)2	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[3x5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x5,6]C[4,5,5,6,6]C[5,5,6,6]C[5,5])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[3x5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9835	0.580	4	120.9835	0.336	4	120.9835	0.336	4	120.9835	0.336	4	121.0554	0.808	8	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[3x5,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x5,6]C[5,5,6]3)(C[6a]C[6a]H)2	C[3x5,6](C[5,5,6]C[3x5,6]C[6]2)(C[5,5,6]C[5,5,6]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[3x5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x5,6]C[5,5,6]3)(C[6a]C[6a]H)2{3|C<3>,4|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[3x5,6]C[6]2)(C[5,5,6]C[5,5,6]C[5]H)2(C[6a]C[6a]2){10|H<1>,1|Cl<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[3x5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	121.5410	1.969	2	121.5410	3.875	2	121.5410	3.875	2	121.5410	3.875	2	121.0554	0.808	8	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,3x6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0062	3.015	4	121.0062	9.089	4	121.0648	4.747	16	121.0648	4.747	16	121.0648	4.747	16	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,3x6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0842	1.998	12	121.0842	3.992	12	121.0648	4.747	16	121.0648	4.747	16	121.0648	4.747	16	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,4x6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,4x6]-4:C[6a]-3:C[6a]-3:	C[5,5x6]-4:P[5,5,3x6]-4:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6,6])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,4x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6,6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>,3|H<1>}	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[6a](C[6a]C[5,4x6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	120.6658	2.291	8	120.6658	5.249	8	120.6658	5.249	8	120.6658	5.249	8	120.6658	5.249	8	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6,6]	C[6a]	4:3:3:	4:2:2:3:	3:3:1:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:S[5,6,6]-2:S[5,6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6,6]S[5,6,6]2C[5,5])(C[6a]C[6a]H)2	C[5,5,6,6](C[5,5]C[4,5,5,6]HH)(S[5,6,6]P[4,5,6,6])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6,6]S[5,6,6]2C[5,5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|P<4>,4|H<1>}	C[5,5,6,6](C[5,5]C[4,5,5,6]HH)(S[5,6,6]P[4,5,6,6])2(C[6a]C[6a]2){1|S<2>,2|H<1>,2|S<1>,3|C<3>}	C[6a](C[6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	120.4650	2.852	2	120.4650	8.137	2	120.4650	8.137	2	120.4650	8.137	2	121.1901	2.844	12	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6,6]C[3x5,5x6]C[3x5,6,6]C[6,6])(C[6a]C[6a]H)2	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6,6]C[3x5,5x6]C[3x5,6,6]C[6,6])(C[6a]C[6a]H)2{1|C<3>,5|H<1>,6|C<4>}	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2){4|C<3>,5|C<4>,7|H<1>}	C[6a](C[6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2655	4.190	2	121.2655	17.553	2	121.2655	17.553	2	121.3351	2.431	10	121.1901	2.844	12	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])(C[6a]C[6a]H)2	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){3|C<3>,3|C<4>,7|H<1>}	C[6a](C[6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3525	0.785	8	121.3525	0.617	8	121.3525	0.617	8	121.3351	2.431	10	121.1901	2.844	12	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5,6]-4:O[5,5]-2:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])	C[6,6a](C[6a]C[5,5,6]C[6a])(C[6,6a]C[6a]O[6])(O[6]C[6])	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a]C[5,5,6]C[6a])(C[6,6a]C[6a]O[6])(O[6]C[6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	118.9850	0.000	1	118.9850	0.000	1	118.9850	0.000	1	118.9850	0.000	1	118.9045	0.013	2	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:O[5,5]-2:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6])	C[6,6a](C[6a]C[5,5,6]C[6a])(C[6,6a]C[6a]O[6])(O[6]C[6])	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6]){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6a]C[5,5,6]C[6a])(C[6,6a]C[6a]O[6])(O[6]C[6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	118.8240	0.000	1	118.8240	0.000	1	118.8240	0.000	1	118.8240	0.000	1	118.9045	0.013	2	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:2:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[6a]-3:C[5,6]-4:S[5,5]-2:N[5,6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[6a](C[6a]C[5,5,6]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,5,6]N[6a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	119.6760	1.572	3	119.6760	2.472	3	119.3046	1.042	7	119.3046	1.042	7	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:2:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[6a]-3:C[5,6]-4:S[5,5]-2:N[5,6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[6a](C[6a]C[5,5,6]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,5,6]N[6a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	119.0260	0.441	4	119.0260	0.194	4	119.3046	1.042	7	119.3046	1.042	7	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:2:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:S[5,5]-2:N[5,6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[6a](C[6a]C[5,5,6]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[5,5,6]N[6a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	121.0050	0.000	1	121.0050	0.000	1	121.0050	0.000	1	121.0050	0.000	1	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:2:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]S[5,5]S[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6]S[5,5]S[5,6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|S<2>}	120.2253	1.369	6	120.2253	1.874	6	120.2253	1.874	6	120.2253	1.874	6	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:2:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.8680	2.035	4	120.8018	2.381	14	120.7913	3.424	16	120.7913	3.424	16	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:2:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7835	1.891	6	120.8018	2.381	14	120.7913	3.424	16	120.7913	3.424	16	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:2:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.5475	0.367	2	120.8018	2.381	14	120.7913	3.424	16	120.7913	3.424	16	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:2:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9785	0.551	2	120.8018	2.381	14	120.7913	3.424	16	120.7913	3.424	16	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:2:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7175	4.516	2	120.7175	20.397	2	120.7913	3.424	16	120.7913	3.424	16	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.5390	1.829	6	120.5390	3.344	6	120.5390	3.344	6	120.3794	2.074	32	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.4350	0.794	6	120.4350	0.630	6	120.2969	1.995	24	120.3794	2.074	32	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.1502	1.827	10	120.1502	3.338	10	120.2969	1.995	24	120.3794	2.074	32	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.4740	2.762	2	120.3768	1.758	8	120.2969	1.995	24	120.3794	2.074	32	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.3443	0.965	6	120.3768	1.758	8	120.2969	1.995	24	120.3794	2.074	32	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8900	0.929	2	120.8900	0.863	2	120.8900	0.863	2	120.3794	2.074	32	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]2C[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]2C[5,5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.9240	3.743	4	120.9240	14.009	4	120.9240	14.009	4	120.9240	14.009	4	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5,6]-4:O[5,5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])	C[6a](C[6a]C[5,5,6]C[6,6a])(C[6a]C[6a]C)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5,6]C[6,6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.8800	0.000	1	122.8800	0.000	1	122.8800	0.000	1	122.8800	0.000	1	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6960	4.371	2	120.6960	19.109	2	120.6960	19.109	2	120.8986	3.751	14	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7125	2.794	2	120.7125	7.805	2	120.9324	2.687	12	120.8986	3.751	14	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9655	3.156	2	120.9655	9.959	2	120.9324	2.687	12	120.8986	3.751	14	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9791	1.292	8	120.9791	1.668	8	120.9324	2.687	12	120.8986	3.751	14	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.9065	2.268	2	119.9065	5.142	2	120.4722	1.259	12	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8360	1.529	2	120.7655	2.412	4	120.4722	1.259	12	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6950	2.209	2	120.7655	2.412	4	120.4722	1.259	12	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|S<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3100	0.089	2	120.4652	0.097	6	120.4722	1.259	12	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4720	0.553	2	120.4652	0.097	6	120.4722	1.259	12	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|S<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6135	0.281	2	120.4652	0.097	6	120.4722	1.259	12	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3731	1.062	12	120.3731	1.128	12	120.3731	1.128	12	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4922	1.080	5	120.4922	1.167	5	120.6730	2.509	11	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6365	2.021	4	120.6365	4.084	4	120.6730	2.509	11	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6]2)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6]2)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,6|C<3>,7|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1980	2.729	2	121.1980	7.450	2	120.6730	2.509	11	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8370	3.247	2	120.8705	11.636	4	120.7181	3.888	12	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.9040	4.936	2	120.8705	11.636	4	120.7181	3.888	12	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<1>,2|O<2>,3|H<1>,8|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7317	1.208	6	120.7317	1.460	6	120.7181	3.888	12	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]P[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]P[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|W<6>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3725	0.474	2	120.3725	0.225	2	120.7181	3.888	12	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:P[5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]O[5,5]P[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(P[5,6]C[5,6]ClW)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]O[5,5]P[5,6])(C[6a]C[6a]H)2{1|Cl<1>,1|W<6>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(P[5,6]C[5,6]ClW)(O[5,5]C[5,5,6])(C[6a]C[6a]2){5|C<3>,5|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	120.5390	4.832	2	120.5390	23.352	2	120.5390	23.352	2	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.3220	1.998	2	120.3220	3.993	2	120.4278	1.955	6	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<2>,1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.4808	1.384	4	120.4808	1.916	4	120.4278	1.955	6	120.5420	2.376	55	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:O[5,5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6])	C[6a](C[6a]C[5,5,6]C[6,6a])(C[6a]C[6a]C)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6]){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,5,6]C[6,6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.8200	0.000	1	122.8200	0.000	1	122.8200	0.000	1	122.8200	0.000	1	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6367	1.880	76	120.6367	3.534	76	120.6367	3.534	76	120.6422	3.687	82	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8390	3.749	2	120.8390	14.056	2	120.8390	14.056	2	120.6422	3.687	82	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-4:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7285	2.573	2	120.7285	6.621	2	120.7285	6.621	2	120.6422	3.687	82	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]2N[5,5])(C[6a]C[6a]H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6]2N[5,5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5715	3.577	2	120.5715	12.797	2	120.5715	12.797	2	120.6422	3.687	82	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	N[3x5,6]-3:C[5,6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]N[3x5,6]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]N[3x5,6]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9200	0.236	2	120.9200	0.056	2	120.9200	0.056	2	120.9200	0.056	2	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5a,6]C[3x5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5a,6]C[3x5]C[5,6])(C[6a]C[6a]H)2{3|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,7|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.3560	1.328	4	121.3560	1.763	4	121.3560	1.763	4	121.2495	2.129	6	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5a,6]-3:C[5,6]-4:C[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.0365	2.285	2	121.0365	5.220	2	121.0365	5.220	2	121.2495	2.129	6	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:2:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]O[5,5]O[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6]O[5,5]O[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<5>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.1545	1.041	4	120.1545	1.083	4	120.1545	1.083	4	120.1545	1.083	4	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:2:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.5385	1.385	2	120.5385	1.919	2	120.5385	1.919	2	120.5385	1.919	2	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:2:4:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:O[5,5]-2:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.2935	0.078	2	120.2935	0.006	2	120.2935	0.006	2	120.2935	0.006	2	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[3,3x5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[3,3x5,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[3,3x5,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4407	0.369	4	120.4407	0.136	4	120.4407	0.136	4	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3822	1.053	12	120.3822	1.108	12	120.3965	0.790	20	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4179	0.634	8	120.4179	0.401	8	120.3965	0.790	20	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8632	0.883	4	120.8632	0.780	4	120.7110	1.902	32	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,8|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8430	2.890	4	120.6892	2.094	28	120.7110	1.902	32	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8418	1.125	8	120.6892	2.094	28	120.7110	1.902	32	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5745	1.214	16	120.6892	2.094	28	120.7110	1.902	32	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]C[5,6]S[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,6]S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.4820	1.675	10	120.4899	2.716	12	120.4899	2.716	12	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]C[5,6]S[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,6]S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.5295	2.150	2	120.4899	2.716	12	120.4899	2.716	12	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7135	1.815	2	120.7135	3.295	2	120.8912	1.928	6	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8895	2.241	2	120.8895	5.021	2	120.8912	1.928	6	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]P[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]P[5,5,6])(C[6a]C[6a]2){1|Mo<6>,1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0705	1.094	2	121.0705	1.197	2	120.8912	1.928	6	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.5560	1.001	2	120.5560	1.003	2	120.5560	1.003	2	120.5892	1.558	76	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]B[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](B[5,5]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]B[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	C[5,5,6](B[5,5]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])2(C[6a]C[6a]2){11|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	121.5770	1.295	4	121.5770	1.677	4	121.5770	1.677	4	120.7182	1.438	50	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.3000	2.681	2	120.3000	7.190	2	120.3000	7.190	2	120.7182	1.438	50	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]N[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]N[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6884	1.078	16	120.6123	0.765	32	120.6123	0.765	32	120.7182	1.438	50	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]N[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]N[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|S<1>,4|C<3>,6|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.3904	0.452	8	120.6123	0.765	32	120.6123	0.765	32	120.7182	1.438	50	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]N[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]N[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6817	0.785	8	120.6123	0.765	32	120.6123	0.765	32	120.7182	1.438	50	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5]N[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5]N[5,6]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|S<1>,4|C<3>,7|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6755	0.392	2	120.5227	0.226	6	120.5227	0.226	6	120.7182	1.438	50	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5]N[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5]N[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|O<1>,4|C<3>,8|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.7920	0.655	2	120.5227	0.226	6	120.5227	0.226	6	120.7182	1.438	50	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5]N[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5]N[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|S<1>,4|C<3>,8|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.1005	0.030	2	120.5227	0.226	6	120.5227	0.226	6	120.7182	1.438	50	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0458	2.403	6	121.0458	5.776	6	121.0458	5.776	6	120.7182	1.438	50	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[5,6]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4280	0.632	4	121.4280	0.400	4	121.4280	0.400	4	121.4280	0.400	4	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:N[5,5]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5]P[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5]P[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[6a]C[6a]2){1|N<3>,1|O<1>,1|W<6>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9015	2.642	4	120.9015	6.982	4	120.9015	6.982	4	120.8950	3.670	8	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,6]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[6a]C[6a]H)2{1|O<2>,2|N<3>,3|H<1>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8885	1.258	4	120.8885	1.582	4	120.8885	1.582	4	120.8950	3.670	8	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]C[5,5]O[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,5]O[5,6])(C[6a]C[6a]H)2{3|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<2>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.8815	0.008	2	120.8815	0.000	2	120.8815	0.000	2	120.8396	0.910	18	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.6148	1.183	4	120.6148	1.401	4	120.6148	1.401	4	120.8396	0.910	18	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<3>,4|C<4>,7|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2675	0.735	2	121.2675	0.540	2	121.2675	0.540	2	120.8396	0.910	18	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6,6]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6,6]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<3>,3|C<4>,8|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8451	1.203	8	120.8451	1.448	8	120.8451	1.448	8	120.8396	0.910	18	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2{1|P<5>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7975	0.105	2	120.7975	0.011	2	120.7975	0.011	2	120.8396	0.910	18	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]2S[5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5])	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]2S[5])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,1|S<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5]){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	120.8490	0.123	2	120.8490	0.015	2	120.8490	0.015	2	120.8490	0.015	2	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9270	2.438	2	120.9095	4.900	4	120.9095	4.900	4	120.7883	2.321	16	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8920	2.959	2	120.9095	4.900	4	120.9095	4.900	4	120.7883	2.321	16	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,2|O<1>,6|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7405	3.944	2	120.7405	15.551	2	120.7405	15.551	2	120.7883	2.321	16	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7837	0.940	4	120.7837	0.884	4	120.7837	0.884	4	120.7883	2.321	16	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	121.1995	0.955	2	121.1995	0.913	2	120.7263	0.366	6	120.7883	2.321	16	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(C[6a]C[6a]2){1|I<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4898	0.288	4	120.4898	0.083	4	120.7263	0.366	6	120.7883	2.321	16	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	B[3x5]-4:C[5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]B[3x5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](B[3x5]N[3x5,6]O[5]2)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HS)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]B[3x5]C[5,6]2)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,1|S<2>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6](B[3x5]N[3x5,6]O[5]2)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HS)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	121.4285	1.726	2	121.4285	2.979	2	121.4285	2.979	2	121.1743	0.531	14	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[3,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[3,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1462	0.474	10	121.1462	0.225	10	121.1462	0.225	10	121.1743	0.531	14	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]2C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]2C[5,6])(C[6a]C[6a]H)2{2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	121.0605	1.317	2	121.0605	1.735	2	121.0605	1.735	2	121.1743	0.531	14	120.6567	2.313	423	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a,6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[6a]C[6a,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[6a,6a](C[6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,5](C[6a]C[6a,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a,6a](C[6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	122.9690	1.314	3	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a,6a]	4:3:3:	4:4:3:3:	3:3:3:	C[5,5]-4:C[6a,6a]-3:C[6a]-3:	C[5,5]-4:P[5,5]-4:C[6a]-3:N[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[5,5]C[5,5]P[5,5]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)	C[6a,6a](C[6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,5]C[5,5]P[5,5]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,1|P<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H){1|O<1>,2|H<1>,9|C<3>}	C[6a,6a](C[6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|P<4>,2|C<3>,4|H<1>}	123.5900	0.560	2	123.5900	0.314	2	123.5900	0.314	2	123.5900	0.314	2	122.9690	1.314	3	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	3:4:3:	3:3:4:3:	3:3:1:	C[6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[6a]C[6a,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[6a](C[6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,5](C[6a]C[6a,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.1620	0.000	1	119.1620	0.000	1	119.1620	0.000	1	119.1620	0.000	1	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:2:	3:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5,5]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5])	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.9720	0.000	1	121.9720	0.000	1	121.9720	0.000	1	123.2270	1.951	5	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:2:	3:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>,4|C<4>}	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	123.5408	1.395	4	123.5408	1.945	4	123.5408	1.945	4	123.2270	1.951	5	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:2:	3:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,5,6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(O[5]C[5])	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.6940	0.000	1	122.6940	0.000	1	122.6940	0.000	1	122.2832	0.102	4	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:2:	3:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]N)(N[5]C[5])	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]N)(N[5]C[5]){3|C<3>,7|H<1>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.1463	0.203	3	122.1463	0.041	3	122.1463	0.041	3	122.2832	0.102	4	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:2:	3:4:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.8970	0.000	1	122.8970	0.000	1	122.8970	0.000	1	122.8970	0.000	1	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:2:	4:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.3310	0.000	1	122.3310	0.000	1	122.8210	0.480	2	122.8210	0.480	2	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:2:	4:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.3110	0.000	1	123.3110	0.000	1	122.8210	0.480	2	122.8210	0.480	2	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5,5]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5]){3|C<3>,6|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	120.2475	0.271	2	120.2475	0.073	2	120.2475	0.073	2	120.2475	0.073	2	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:S[5]-2:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]S[5])(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]C[5]S[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH){5|C<3>,5|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	120.7066	0.543	8	120.7066	0.294	8	120.7066	0.294	8	120.7066	0.294	8	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5,5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]N[5,5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]N[5,5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5]){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4875	2.271	2	120.4875	5.155	2	120.4875	5.155	2	120.4875	5.155	2	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,5]C[6a])(H)	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,5]C[6a])(H){1|H<1>,1|N<3>,6|C<3>}	119.9630	0.706	3	119.9630	0.499	3	119.9630	0.499	3	120.4604	2.050	37	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(H)	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.8697	0.311	3	120.8697	0.097	3	120.1301	2.340	16	120.4604	2.050	37	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<3>,3|H<1>,8|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){2|N<3>,4|C<3>}	118.7496	0.340	7	118.7496	0.116	7	120.1301	2.340	16	120.4604	2.050	37	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	121.3708	1.414	6	121.3708	1.999	6	120.1301	2.340	16	120.4604	2.050	37	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C){2|O<1>,4|C<3>,6|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.4130	2.684	2	120.4130	7.205	2	120.4130	7.205	2	120.4604	2.050	37	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,8|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.2480	0.346	2	121.2480	0.120	2	121.2480	0.120	2	120.4604	2.050	37	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.4580	1.205	2	121.4580	1.452	2	121.4580	1.452	2	120.4604	2.050	37	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5,5]-3:Ge[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]Ge[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]Ge[5]N[5])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C){4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,2|H<1>,2|N<3>}	120.8483	0.647	4	120.8483	0.419	4	120.8483	0.419	4	120.4604	2.050	37	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.3227	1.636	4	120.3227	2.678	4	120.3227	2.678	4	120.4604	2.050	37	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	P[3,5,5]-3:P[4x5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]P[3,5,5]P[4x5]C[6a])(C[6a]C[6a]H)2	C[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]P[3,5,5]P[4x5]C[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|P<3>}	C[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(C[6a]C[6a]2)2{2|P<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|P<3>}	121.0360	1.994	4	121.0360	3.976	4	121.0360	3.976	4	120.4604	2.050	37	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<3>,3|H<1>,8|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,4|C<3>}	126.3214	0.329	7	126.3214	0.108	7	126.3214	0.108	7	126.3214	0.108	7	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	120.5875	0.771	2	120.5875	0.595	2	120.5875	0.595	2	120.6579	2.652	8	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5,5]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2985	0.202	2	120.2985	0.041	2	120.2985	0.041	2	120.6579	2.652	8	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{2|F<1>,2|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF){2|H<1>,8|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.4095	0.367	2	121.4095	0.135	2	121.4095	0.135	2	120.6579	2.652	8	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:N[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.3360	4.023	2	120.3360	16.188	2	120.3360	16.188	2	120.6579	2.652	8	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:3:4:	3:3:2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NO)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NO){1|C<4>,2|H<1>,3|C<3>}	122.1705	0.407	2	122.1705	0.165	2	122.1705	0.165	2	122.1705	0.165	2	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.0325	1.402	2	121.0325	1.966	2	121.0325	1.966	2	120.6489	0.739	14	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.4410	0.000	1	120.4427	0.825	3	120.7122	0.869	6	120.6489	0.739	14	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.9435	0.381	2	120.4427	0.825	3	120.7122	0.869	6	120.6489	0.739	14	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6870	0.000	1	121.6870	0.000	1	120.7122	0.869	6	120.6489	0.739	14	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6290	1.229	2	120.6290	1.510	2	120.7122	0.869	6	120.6489	0.739	14	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,7|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,3|H<1>}	121.4940	0.000	1	121.4940	0.000	1	120.4578	0.553	6	120.6489	0.739	14	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,8|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5320	0.682	2	120.1388	0.409	4	120.4578	0.553	6	120.6489	0.739	14	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,7|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.7455	0.380	2	120.1388	0.409	4	120.4578	0.553	6	120.6489	0.739	14	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])2(H)	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,7|H<1>}	C[6a](C[6a]C[5,5]C[6a])2(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<2>}	120.6980	0.000	1	120.6980	0.000	1	120.4578	0.553	6	120.6489	0.739	14	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[3x5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5a]2C[3x5])(C[6a]C[6a]H)2	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[3x5]C[5,5]C[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5a]2C[3x5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,5|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[3x5]C[5,5]C[5]2)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|N<3>,6|C<3>,7|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5965	0.746	2	120.5965	0.557	2	120.5965	0.557	2	120.7195	2.002	35	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]2C[3x5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]2C[3x5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2){10|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<1>,1|C<4>,1|H<1>,3|C<3>}	121.0160	1.246	4	120.9980	1.700	24	120.9980	1.700	24	120.7195	2.002	35	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]2C[3x5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]2C[3x5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2){10|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	121.1949	1.673	8	120.9980	1.700	24	120.9980	1.700	24	120.7195	2.002	35	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]2C[3x5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]2C[3x5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2){10|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,3|C<3>}	120.8608	1.141	12	120.9980	1.700	24	120.9980	1.700	24	120.7195	2.002	35	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]N)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]N){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.9200	0.000	1	118.9200	0.000	1	119.7757	2.422	3	120.7195	2.002	35	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2035	1.935	2	120.2035	3.746	2	119.7757	2.422	3	120.7195	2.002	35	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.1865	2.525	2	120.1865	6.376	2	120.1183	3.370	6	120.7195	2.002	35	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|F<1>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	120.0842	1.867	4	120.0842	3.486	4	120.1183	3.370	6	120.7195	2.002	35	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]N)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]N){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.3060	0.000	1	122.3060	0.000	1	122.3060	0.000	1	122.3060	0.000	1	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	122.7400	0.000	1	122.7400	0.000	1	122.7400	0.000	1	121.7617	6.538	4	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	121.6980	0.000	1	121.6980	0.000	1	121.6980	0.000	1	121.7617	6.538	4	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.3045	4.270	2	121.3045	18.235	2	121.3045	18.235	2	121.7617	6.538	4	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.0005	0.688	4	121.0435	0.340	6	121.0435	0.340	6	120.7311	0.490	16	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.1295	0.507	2	121.0435	0.340	6	121.0435	0.340	6	120.7311	0.490	16	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|S<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4980	0.385	2	120.4980	0.148	2	120.6402	0.607	4	120.7311	0.490	16	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,4|C<3>,8|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7825	1.262	2	120.7825	1.593	2	120.6402	0.607	4	120.7311	0.490	16	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.7185	0.122	2	120.7185	0.015	2	120.7185	0.015	2	120.7311	0.490	16	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|S<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.3660	0.942	2	120.3660	0.887	2	120.3595	0.882	4	120.7311	0.490	16	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.3530	1.327	2	120.3530	1.760	2	120.3595	0.882	4	120.7311	0.490	16	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.4920	2.838	2	120.4920	8.056	2	120.4920	8.056	2	120.8184	1.672	22	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,8|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	120.6965	2.003	2	120.9825	2.010	4	120.9408	1.334	6	120.8184	1.672	22	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,8|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2685	1.300	2	120.9825	2.010	4	120.9408	1.334	6	120.8184	1.672	22	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8575	0.786	2	120.8575	0.617	2	120.9408	1.334	6	120.8184	1.672	22	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9025	0.954	2	120.9025	0.910	2	120.9670	0.878	6	120.8184	1.672	22	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2){3|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9993	1.075	4	120.9993	1.156	4	120.9670	0.878	6	120.8184	1.672	22	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]Si[5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]Si[5]C[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	121.5390	1.317	2	121.1188	3.535	4	121.1188	3.535	4	120.8184	1.672	22	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]Si[5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>,3|C<4>}	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	120.6985	2.857	2	121.1188	3.535	4	121.1188	3.535	4	120.8184	1.672	22	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	N[5,5,6]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5,6]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](N[5,5,6]C[5,6]N[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5,6]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5,6]C[5,6]N[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.2175	0.489	2	120.2175	0.239	2	120.2175	0.239	2	120.8184	1.672	22	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3320	1.778	2	120.3320	3.160	2	120.3320	3.160	2	120.8184	1.672	22	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]N)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.8750	0.000	1	120.8750	0.000	1	121.2398	2.835	9	121.2398	2.835	9	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.9680	0.000	1	122.9680	0.000	1	121.2398	2.835	9	121.2398	2.835	9	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	117.9810	0.000	1	117.9810	0.000	1	121.2398	2.835	9	121.2398	2.835	9	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,7|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.5050	2.367	2	121.7682	2.056	4	121.2398	2.835	9	121.2398	2.835	9	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH){5|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.0315	0.535	2	121.7682	2.056	4	121.2398	2.835	9	121.2398	2.835	9	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1305	1.276	2	121.1305	1.629	2	121.2398	2.835	9	121.2398	2.835	9	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	121.2810	0.000	1	121.2810	0.000	1	121.2810	0.000	1	121.2810	0.000	1	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.3130	0.000	1	119.3095	0.000	2	120.3548	1.127	13	120.3548	1.127	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|C<4>}	119.3060	0.000	1	119.3095	0.000	2	120.3548	1.127	13	120.3548	1.127	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	121.8900	0.000	1	121.8900	0.000	1	120.3548	1.127	13	120.3548	1.127	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[5]C[5,5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[5]C[5,5]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.3895	1.619	2	120.3895	2.620	2	120.3548	1.127	13	120.3548	1.127	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	120.3225	1.382	2	120.3042	0.651	4	120.3548	1.127	13	120.3548	1.127	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	120.2860	0.202	2	120.3042	0.651	4	120.3548	1.127	13	120.3548	1.127	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.1620	1.416	2	120.5267	1.428	4	120.3548	1.127	13	120.3548	1.127	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.8915	1.322	2	120.5267	1.428	4	120.3548	1.127	13	120.3548	1.127	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.9850	0.000	1	118.9850	0.000	1	118.9850	0.000	1	118.9850	0.000	1	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1110	0.000	1	121.2890	0.063	2	121.2890	0.063	2	121.2890	0.063	2	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.4670	0.000	1	121.2890	0.063	2	121.2890	0.063	2	121.2890	0.063	2	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:N[5,5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]N[5,5,6]H)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]N[5,5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H){2|C<3>,2|O<1>,6|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2330	0.621	2	120.2330	0.385	2	120.2330	0.385	2	120.2330	0.385	2	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2{2|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<4>,2|H<1>,2|S<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.6130	1.030	2	120.6130	1.060	2	120.6130	1.060	2	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.0530	1.376	2	121.0530	1.893	2	120.5934	0.611	10	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.5745	0.441	4	120.5745	0.194	4	120.5934	0.611	10	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,8|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3825	0.899	4	120.3825	0.808	4	120.5934	0.611	10	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){2|H<1>,7|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.6825	0.368	2	120.6825	0.136	2	120.5270	0.384	4	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]N[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<3>,1|S<4>,2|H<1>,2|N<2>,2|N<3>}	C[5,5](C[5,5]N[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5]){2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	120.3715	0.960	2	120.3715	0.921	2	120.5270	0.384	4	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,2|N<2>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.5235	2.548	2	120.5235	6.491	2	120.4024	1.161	8	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,1|S<3>,1|S<4>,2|C<3>,2|H<1>,2|N<2>}	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.4023	0.315	4	120.3620	0.319	6	120.4024	1.161	8	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>,2|S<4>}	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.2815	1.131	2	120.3620	0.319	6	120.4024	1.161	8	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.2515	2.115	2	120.2515	4.473	2	120.4931	1.592	8	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8535	1.672	2	120.5737	1.303	6	120.4931	1.592	8	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){3|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4338	1.078	4	120.5737	1.303	6	120.4931	1.592	8	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]S[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5,6a])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]S[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5,6a]){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	120.7950	1.049	2	120.7950	1.101	2	120.7950	1.101	2	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,5|H<1>,7|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.5730	0.478	2	120.5613	0.260	6	120.5613	0.260	6	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){4|H<1>,9|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.5750	1.010	2	120.5613	0.260	6	120.5613	0.260	6	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,9|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.5360	0.219	2	120.5613	0.260	6	120.5613	0.260	6	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	120.8575	1.549	2	120.7360	0.902	4	120.6006	1.135	8	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6145	0.497	2	120.7360	0.902	4	120.6006	1.135	8	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.3695	1.760	2	120.3695	3.098	2	120.6006	1.135	8	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5610	1.399	2	120.5610	1.956	2	120.6006	1.135	8	120.5457	0.802	48	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[3x5]-4:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[3x5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[3x5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.5995	0.518	2	120.5995	0.269	2	120.5995	0.269	2	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[4,5,5]-4:C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[4,5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[4,5,5]C[5]2)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.3055	0.945	2	121.3055	0.894	2	121.3055	0.894	2	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2{2|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5765	0.658	2	120.6965	0.904	4	120.6965	0.904	4	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2{2|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)2{2|C<4>,2|H<1>,2|S<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.8165	1.490	2	120.6965	0.904	4	120.6965	0.904	4	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,7|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7380	0.263	4	120.7380	0.069	4	120.7380	0.069	4	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6a]C[5,5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6a]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8192	1.145	4	120.8192	1.311	4	120.8192	1.311	4	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.8400	1.038	2	120.8400	1.078	2	120.8400	1.078	2	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<3>,1|N<3>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H){1|Co<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.1933	0.366	4	121.1933	0.134	4	121.1933	0.134	4	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.3530	0.895	24	120.4257	0.622	58	120.4739	0.574	97	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|S<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5675	0.689	2	120.4257	0.622	58	120.4739	0.574	97	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.4715	0.725	32	120.4257	0.622	58	120.4739	0.574	97	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{2|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2{1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6100	1.040	4	120.5455	0.510	39	120.4739	0.574	97	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{2|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.4917	0.619	32	120.5455	0.510	39	120.4739	0.574	97	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{2|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2{2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.0330	1.311	3	120.5455	0.510	39	120.4739	0.574	97	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5,5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,6]N[5,5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,6]N[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	121.5685	0.914	2	121.5685	0.836	2	121.5685	0.836	2	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3420	2.571	2	120.3420	6.610	2	120.3420	6.610	2	120.5615	0.642	123	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){4|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	120.9405	1.474	2	120.8413	2.579	4	120.8413	2.579	4	120.7312	1.640	6	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){3|H<1>,7|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	120.7420	2.350	2	120.8413	2.579	4	120.8413	2.579	4	120.7312	1.640	6	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5110	0.564	2	120.5110	0.318	2	120.5110	0.318	2	120.7312	1.640	6	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0687	1.725	6	121.0687	2.977	6	121.0687	2.977	6	120.9554	4.016	10	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S){5|C<3>,5|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.8905	4.552	2	120.8905	20.717	2	120.7855	7.021	4	120.9554	4.016	10	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S){3|C<3>,8|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6805	0.549	2	120.6805	0.302	2	120.7855	7.021	4	120.9554	4.016	10	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{2|C<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH){5|C<3>,5|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3600	2.485	2	121.3600	6.174	2	121.3600	6.174	2	121.3600	6.174	2	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]2Br)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]2Br)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Br){10|H<1>,2|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0135	1.295	2	121.0135	1.676	2	121.0135	1.676	2	121.2171	1.682	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]2Cl)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]2Cl)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Cl){10|H<1>,2|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9955	0.144	2	120.9955	0.021	2	120.9955	0.021	2	121.2171	1.682	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|O<2>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	120.9250	0.000	1	120.9250	0.000	1	121.3323	0.914	7	121.2171	1.682	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,9|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4505	1.467	2	121.4002	1.058	6	121.3323	0.914	7	121.2171	1.682	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	121.3750	1.022	4	121.4002	1.058	6	121.3323	0.914	7	121.2171	1.682	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]2I)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(I)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]2I)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(I){10|H<1>,2|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,2|C<4>,2|H<1>}	121.2390	3.568	2	121.2390	12.731	2	121.2390	12.731	2	121.2171	1.682	13	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|O<2>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	119.6750	0.000	1	119.6750	0.000	1	119.6750	0.000	1	119.6750	0.000	1	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[3,5]C[5,5]O[5])(C[6a]C[6a]H)2	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[3,5]C[5,5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,3|C<3>,8|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.1430	1.052	2	121.1430	1.107	2	121.1430	1.107	2	120.8782	0.985	12	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.0440	1.424	2	121.0440	2.028	2	121.0440	2.028	2	120.8782	0.985	12	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]2C)(C[5]C[5,6a]BrH)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(C[5]C[5,6a]BrH)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6485	0.199	2	120.6485	0.039	2	120.7705	1.058	8	120.8782	0.985	12	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.8090	1.235	2	121.1142	0.654	4	120.7705	1.058	8	120.8782	0.985	12	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.4195	0.255	2	121.1142	0.654	4	120.7705	1.058	8	120.8782	0.985	12	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]ClH)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]ClH)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2050	2.065	2	120.2050	4.263	2	120.7705	1.058	8	120.8782	0.985	12	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5]-4:C[6a,6a]-3:C[6a]-3:	C[5,5]-4:P[5,5]-4:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]P[5,5]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)	C[6a](C[6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]P[5,5]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,1|P<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|P<4>,2|C<3>}	117.3890	1.476	2	117.3890	2.180	2	117.3890	2.180	2	120.7204	2.346	18	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[3,5,5]C[3x5,6]C[6a])(C[6a]C[6a]H)2	C[5,5](C[3x5,6]C[5,5,6]O[5,5]O[6])(C[3,5,5]C[3,5,5]2H)(C[6a]C[6a]2)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[3,5,5]C[3x5,6]C[6a])(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]O[5,5]O[6])(C[3,5,5]C[3,5,5]2H)(C[6a]C[6a]2)2{2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0623	0.635	8	121.0623	0.403	8	121.0623	0.403	8	120.7204	2.346	18	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[3x5]-4:C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[3x5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[3x5]C[5]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7110	1.984	2	120.7110	3.937	2	120.7110	3.937	2	120.7204	2.346	18	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]2C)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]2C)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(C[6a]C[6a]2)(CCO){1|C<4>,2|C<3>,8|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8015	1.999	2	120.8015	3.996	2	120.8015	3.996	2	120.7204	2.346	18	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]2C[6a])(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]2C[6a])(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)2{12|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	121.6895	0.074	2	121.6665	0.075	4	121.6665	0.075	4	120.7204	2.346	18	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]2C[6a])(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]2C[6a])(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)2{12|H<1>,4|C<3>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6435	0.466	2	121.6665	0.075	4	121.6665	0.075	4	120.7204	2.346	18	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]2C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]2C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3248	2.185	10	121.3248	4.773	10	121.3248	4.773	10	121.3527	4.052	12	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.4920	1.252	2	121.4920	1.566	2	121.4920	1.566	2	121.3527	4.052	12	120.8346	1.979	444	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,5x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[5,5x6]-4:C[6a]-3:C[6a]-3:	C[5,4x6]-4:P[5,5,3x6]-4:C[5x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5x6]P[5,5,3x6]C[5,4x6]C[5x6])(C[6a]C[6a]H)2	C[5,5x6](C[5,4x6]P[5,5,3x6]C[6,6]C[6a])(P[5,5,3x6]C[5,4x6]O[5,5]O)(C[5x6]C[5x6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,5x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5x6]P[5,5,3x6]C[5,4x6]C[5x6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,1|P<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,5x6](C[5,4x6]P[5,5,3x6]C[6,6]C[6a])(P[5,5,3x6]C[5,4x6]O[5,5]O)(C[5x6]C[5x6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[5,5x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	120.7026	1.539	8	120.7026	2.368	8	120.7026	2.368	8	120.7026	2.368	8	120.7026	2.368	8	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.5375	1.133	2	120.5375	1.285	2	120.8252	1.746	18	120.8252	1.746	18	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,9|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.5790	0.327	4	120.5790	0.107	4	120.8252	1.746	18	120.8252	1.746	18	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){1|Au<2>,2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.1557	1.533	4	120.9552	2.496	12	120.8252	1.746	18	120.8252	1.746	18	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.2420	1.673	4	120.9552	2.496	12	120.8252	1.746	18	120.8252	1.746	18	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.4680	1.877	4	120.9552	2.496	12	120.8252	1.746	18	120.8252	1.746	18	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6,6](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[5,6,6]C[5,6,6a]2C)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6,6](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[5,6,6]C[5,6,6a]2C)(C[6a]C[6a]2){10|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.7440	0.000	1	122.7440	0.000	1	120.8826	1.556	80	120.8826	1.556	80	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Au)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|Au<2>,2|H<1>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Au)(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.7845	0.654	2	120.7845	0.428	2	120.8826	1.556	80	120.8826	1.556	80	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|Fe<10>,2|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.9781	1.210	10	120.8773	1.953	57	120.8826	1.556	80	120.8826	1.556	80	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|Fe<10>,2|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7847	1.603	29	120.8773	1.953	57	120.8826	1.556	80	120.8826	1.556	80	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|Fe<10>,2|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.9705	1.181	18	120.8773	1.953	57	120.8826	1.556	80	120.8826	1.556	80	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|Pd<8>,2|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8145	0.709	20	120.8145	0.503	20	120.8826	1.556	80	120.8826	1.556	80	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:2:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6,6](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[5,6,6]C[5,6,6a]2C)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6,6](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[5,6,6]C[5,6,6a]2C)(C[6a]C[6a]2){10|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	121.2090	0.000	1	121.2090	0.000	1	121.2090	0.000	1	121.2090	0.000	1	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]N[5,6,6]C[3x6]O[5])(C[6a]C[6a]H)2	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]N[5,6,6]C[3x6]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4640	1.659	2	120.4640	2.752	2	120.4640	2.752	2	120.4640	2.752	2	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	4:2:3:2:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,3x6]-4:O[6,6]-2:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,3x6]O[6,6]O[5])(C[6a]C[6a]H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5])	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,3x6]O[6,6]O[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.1060	2.824	2	121.1060	7.976	2	121.1060	7.976	2	121.1060	7.976	2	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:O[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,3x6]O[6,6]C[5])(C[6a]C[6a]H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,3x6]O[6,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0725	0.986	2	121.0725	0.973	2	121.0725	0.973	2	121.0725	0.973	2	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6]2C[6,6])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6]2C[6,6])(C[6a]C[6a]H)2{2|H<1>,8|C<3>}	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[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8385	1.539	4	120.8385	2.368	4	120.8385	2.368	4	120.8385	2.368	4	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5,6]-3:C[6,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6,6]C[6a])(H)	C[6a](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|O<2>,3|C<4>,4|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6,6]C[6a])(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>,3|C<4>}	119.7770	0.000	1	119.7770	0.000	1	119.7770	0.000	1	119.7770	0.000	1	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:2:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5,6]-3:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(OH)	C[6a](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|O<2>,3|C<4>,4|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(OH){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,6,6]C[5,6]O[5,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,6,6]C[5,6]O[5,6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1340	1.819	2	121.1340	3.308	2	121.1340	3.308	2	121.1340	3.308	2	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6,6]-4:C[5,3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[3x5,6,6]C[5,3x6]H)(C[6a]C[6a]H)2	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[3x5,6,6]C[5,3x6]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3970	2.793	2	121.3970	7.801	2	121.3970	7.801	2	121.3970	7.801	2	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[4,5,6,6]-4:C[5,5,6,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[4,5,6,6]C[5,5,6,6]O)(C[6a]C[6a]H)2	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[4,5,6,6]C[5,5,6,6]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.6755	0.190	2	120.6755	0.036	2	120.6755	0.036	2	120.6755	0.036	2	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6a]C[6a]H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6a]C[6a]H)2{2|C<4>,4|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3525	0.858	2	121.3525	0.736	2	121.3525	0.736	2	121.3525	0.736	2	120.9024	1.624	119	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a,6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a,6a]-3:N[6a]-2:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[6a,6a](C[6a]C[5,6]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a,6a](C[6a]C[5,6]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	119.2700	0.000	1	119.7340	0.431	2	119.7340	0.431	2	119.7340	0.431	2	121.4295	4.157	4	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a,6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a,6a]-3:N[6a]-2:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[6a,6a](C[6a]C[5,6]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a]C[5,6]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.1980	0.000	1	119.7340	0.431	2	119.7340	0.431	2	119.7340	0.431	2	121.4295	4.157	4	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[6a,6a](C[6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){2|C<4>,3|C<3>,4|H<1>}	122.6050	0.000	1	122.6050	0.000	1	123.1250	0.541	2	123.1250	0.541	2	121.4295	4.157	4	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H)	C[6a,6a](C[6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si){1|Si<4>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H){1|Si<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|C<4>,4|H<1>}	123.6450	0.000	1	123.6450	0.000	1	123.1250	0.541	2	123.1250	0.541	2	121.4295	4.157	4	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:C[5,6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	119.9200	0.000	1	119.9200	0.000	1	119.9200	0.000	1	119.9200	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:2:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6,6a]-3:C[6a]-3:O[5,6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6])	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a]){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[6a]C[6a]N[6a])(O[5,6]C[5,6]){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:2:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	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[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|H<1>,5|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[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.3780	0.000	1	121.3780	0.000	1	121.3780	0.000	1	121.3780	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:2:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[5,6]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.7050	0.000	1	123.7050	0.000	1	123.7050	0.000	1	123.7050	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:2:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[6a]-3:N[6]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5])	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.5900	1.592	2	120.5900	2.536	2	120.5900	2.536	2	120.5900	2.536	2	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	2:3:2:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	O[5,6]-2:C[6a]-3:O[6]-2:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]O[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]O[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH){3|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	120.5400	0.539	2	120.5400	0.290	2	120.5400	0.290	2	120.5400	0.290	2	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	2:3:4:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(O[5]C[3,5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(O[5]C[3,5]){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.5187	1.965	4	120.5187	3.863	4	120.4096	1.977	7	120.3422	1.570	9	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	2:3:4:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<2>,2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.2640	0.285	3	120.2640	0.081	3	120.4096	1.977	7	120.3422	1.570	9	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	2:3:4:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	O[5,6]-2:C[6a]-3:C[6]-4:Se[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]O[5,6]Se[5]C[6])(C[6a]C[6a]H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(Se[5]P[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]O[5,6]Se[5]C[6])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(Se[5]P[5]){1|Se<1>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.1065	0.746	2	120.1065	0.557	2	120.1065	0.557	2	120.3422	1.570	9	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	2:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	O[5,6]-2:C[6a]-3:C[6]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0255	1.192	4	121.0255	1.421	4	121.0255	1.421	4	120.8879	1.518	8	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	2:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	O[5,6]-2:C[6a]-3:C[6]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]O[5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]O[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7502	1.439	4	120.7502	2.071	4	120.7502	2.071	4	120.8879	1.518	8	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	2:3:4:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8990	1.312	2	120.8990	1.722	2	120.7980	2.249	6	120.7980	2.249	6	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	2:3:4:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,6|H<1>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7475	1.779	4	120.7475	3.164	4	120.7980	2.249	6	120.7980	2.249	6	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.1630	0.000	1	118.1630	0.000	1	120.0077	5.083	3	120.0077	5.083	3	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|O<2>}	120.9300	2.250	2	120.9300	5.063	2	120.0077	5.083	3	120.0077	5.083	3	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:2:3:2:	3:3:4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CH3){2|C<3>,2|H<1>,2|O<2>}	122.1830	0.000	1	122.1830	0.000	1	122.1830	0.000	1	122.1830	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6]-3:O[5,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.6112	1.319	4	120.6112	1.740	4	120.6112	1.740	4	120.7109	1.424	8	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8105	1.248	4	120.8105	1.557	4	120.8105	1.557	4	120.7109	1.424	8	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](N[5,6]C[5]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>,2|O<2>}	120.8520	0.000	1	120.8520	0.000	1	120.8520	0.000	1	120.8520	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5,6]N[5,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](N[5,6]C[5]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[5,6]N[5,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[5,6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.5050	2.868	2	120.5050	8.226	2	120.8618	3.797	4	120.5434	3.221	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[5,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	121.2185	1.630	2	121.2185	2.657	2	120.8618	3.797	4	120.5434	3.221	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]N[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]N[5,6]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8332	2.054	4	120.8332	4.218	4	120.8332	4.218	4	120.5434	3.221	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,5,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.0850	2.992	2	120.0850	8.955	2	120.0850	8.955	2	120.5434	3.221	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.2365	0.484	2	120.2365	0.235	2	120.2365	0.235	2	120.5434	3.221	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]N[6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]N[6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.0925	2.623	2	120.0925	6.878	2	120.0925	6.878	2	120.5434	3.221	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6,6a]C[5,5a]C[6,6a])(C[6a]C[6a]H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6,6a]C[5,5a]C[6,6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.9210	1.037	2	120.9210	1.075	2	120.9210	1.075	2	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,8|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8440	1.745	2	120.8440	3.046	2	120.8440	3.046	2	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|O<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	120.7335	2.812	4	120.7335	7.906	4	120.7335	7.906	4	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,5|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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,4|C<3>}	120.5200	1.500	2	120.5200	2.251	2	120.5200	2.251	2	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.1955	2.529	2	121.1955	6.397	2	121.1955	6.397	2	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]N[5,6]C[6])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]N[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5315	1.893	2	120.5315	3.583	2	120.5315	3.583	2	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.4950	1.051	2	120.7638	2.484	4	120.7638	2.484	4	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.0325	2.461	2	120.7638	2.484	4	120.7638	2.484	4	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.7090	1.430	2	120.7090	2.044	2	120.7090	2.044	2	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]N[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]N[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.4360	2.753	2	120.4360	7.582	2	120.4360	7.582	2	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:N[5,6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[3,5]N[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](N[3,5]C[3,5]C[3])(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]C)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[3,5]N[5,6]C[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[3,5]C[3,5]C[3])(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|N<3>}	120.2995	2.633	2	120.2995	6.930	2	120.2995	6.930	2	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	120.8640	3.575	2	120.8640	12.782	2	120.5620	5.337	4	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	120.2600	1.693	2	120.2600	2.866	2	120.5620	5.337	4	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]N[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.5115	0.223	2	120.5115	0.050	2	120.5115	0.050	2	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[6]N[5])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,3|H<1>,4|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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.2550	2.442	2	120.2550	5.965	2	120.3877	6.461	4	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[6]N[5])(C[6a]C[6a]H)2	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[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|C<4>,3|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[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.5205	3.654	2	120.5205	13.349	2	120.3877	6.461	4	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2	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)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|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>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.9370	0.738	2	120.9370	0.545	2	120.9370	0.545	2	120.6555	2.911	36	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	120.4070	2.304	2	120.4070	5.307	2	120.4070	5.307	2	121.0394	4.136	16	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{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]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.5900	2.561	4	121.5900	6.556	4	121.4888	4.278	6	121.0394	4.136	16	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2865	1.264	2	121.2865	1.597	2	121.4888	4.278	6	121.0394	4.136	16	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,1|S<2>,3|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0240	2.554	2	121.0240	6.523	2	121.0240	6.523	2	121.0394	4.136	16	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HN)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HN){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8530	0.225	2	120.8530	0.051	2	120.8058	5.295	6	121.0394	4.136	16	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7823	2.968	4	120.7823	8.806	4	120.8058	5.295	6	121.0394	4.136	16	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.5215	1.056	4	120.5215	1.115	4	120.5709	1.444	8	120.5669	3.757	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.5795	0.409	2	120.5795	0.168	2	120.5709	1.444	8	120.5669	3.757	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.6610	2.563	2	120.6610	6.567	2	120.5709	1.444	8	120.5669	3.757	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[6]O[5])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5590	3.226	4	120.5590	10.407	4	120.5590	10.407	4	120.5669	3.757	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)2	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[5,6]C[5,6,6]C[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]F)(F)	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)2{1|O<2>,2|F<1>,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[5,6]C[5,6,6]C[5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|F<1>,8|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]F)(F){1|C<4>,2|F<1>,3|C<3>}	122.7905	3.900	2	122.7905	15.208	2	122.7905	15.208	2	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6,6a]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6,6a]C[6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6860	0.010	2	120.6860	0.000	2	120.6860	0.000	2	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6965	1.741	4	120.6965	3.032	4	120.6965	3.032	4	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.6835	1.079	4	120.7292	0.788	6	120.7292	0.788	6	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8205	0.648	2	120.7292	0.788	6	120.7292	0.788	6	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,3|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[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,6|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8838	1.967	6	120.8838	3.870	6	120.8838	3.870	6	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2{3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2){2|C<4>,5|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9035	4.057	2	120.9035	16.457	2	120.9035	16.457	2	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8210	0.919	2	120.8188	0.490	4	120.8188	0.490	4	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8165	0.791	2	120.8188	0.490	4	120.8188	0.490	4	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]N[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]N[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	121.2550	2.869	2	121.2550	8.234	2	121.2550	8.234	2	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]N)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]N){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.7900	0.000	1	118.7900	0.000	1	120.1000	5.291	3	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O){4|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7550	2.830	2	120.7550	8.008	2	120.1000	5.291	3	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[6]N[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5625	1.071	2	120.6790	1.838	4	120.6790	1.838	4	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[6]N[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H){5|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.7955	2.077	2	120.6790	1.838	4	120.6790	1.838	4	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	P[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]P[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]P[5,6]C[5]C[6])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	121.1820	3.572	2	121.1820	12.761	2	121.1820	12.761	2	120.8754	3.131	37	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]N)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]N){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.6810	0.000	1	122.6810	0.000	1	122.6810	0.000	1	122.6810	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]O[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]O[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(O[5,6]C[5,6])(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8900	1.029	4	120.8900	1.059	4	120.8900	1.059	4	120.8900	1.059	4	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,8|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0875	2.904	2	121.0875	8.434	2	121.0875	8.434	2	120.7360	2.723	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.8803	2.011	4	121.0698	3.522	6	121.0698	3.522	6	120.7360	2.723	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4490	2.246	2	121.0698	3.522	6	121.0698	3.522	6	120.7360	2.723	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,5a]C[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,5a]C[5,6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.0595	0.624	4	120.0595	0.389	4	120.0595	0.389	4	120.7360	2.723	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9745	2.367	2	120.9745	5.601	2	120.9745	5.601	2	120.8105	1.924	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0945	0.640	2	121.0945	0.410	2	121.0945	0.410	2	120.8105	1.924	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5933	1.631	3	120.5933	2.660	3	120.4540	2.200	6	120.8105	1.924	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	120.3147	1.668	3	120.3147	2.782	3	120.4540	2.200	6	120.8105	1.924	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.4320	1.549	2	121.4320	2.398	2	121.4320	2.398	2	120.8105	1.924	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8897	1.947	4	120.9890	3.977	6	120.9890	3.977	6	121.0704	2.219	28	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1875	2.897	2	120.9890	3.977	6	120.9890	3.977	6	121.0704	2.219	28	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,8|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3700	2.072	4	121.2669	3.719	8	121.2669	3.719	8	121.0704	2.219	28	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1637	2.087	4	121.2669	3.719	8	121.2669	3.719	8	121.0704	2.219	28	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	121.1610	1.192	2	121.1610	1.421	2	121.1610	1.421	2	121.0704	2.219	28	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,5,6]-3:C[5,5]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,5,6]C[5,5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,5,6]C[5,5]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8360	0.173	2	120.8360	0.030	2	120.8360	0.030	2	121.0704	2.219	28	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6]C[6a])(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	122.1200	0.000	1	122.1200	0.000	1	122.1200	0.000	1	121.0704	2.219	28	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.1640	0.000	1	119.1640	0.000	1	120.9013	0.724	7	121.0704	2.219	28	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.3200	0.511	2	121.3200	0.261	2	120.9013	0.724	7	121.0704	2.219	28	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1262	0.412	4	121.1262	0.170	4	120.9013	0.724	7	121.0704	2.219	28	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[5]O[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7390	2.490	2	120.7390	6.202	2	120.7390	6.202	2	121.0704	2.219	28	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8420	0.233	2	120.8420	0.054	2	120.8620	1.391	4	120.8620	1.391	4	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,5|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8820	2.029	2	120.8820	4.118	2	120.8620	1.391	4	120.8620	1.391	4	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[3x5,6]S[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[3x5,6]S[5,6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.6280	3.499	2	120.6280	12.241	2	120.6280	12.241	2	120.6259	1.728	16	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2780	3.152	2	120.2780	9.937	2	120.7026	1.915	8	120.6259	1.728	16	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<5>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7140	1.554	2	120.7140	2.416	2	120.7026	1.915	8	120.6259	1.728	16	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|P<5>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9093	0.416	4	120.9093	0.173	4	120.7026	1.915	8	120.6259	1.728	16	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	P[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]P[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(O[5,6]B[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]P[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(O[5,6]B[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.5228	0.183	6	120.5228	0.033	6	120.5228	0.033	6	120.6259	1.728	16	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.3983	2.607	4	120.3983	6.794	4	120.4463	4.440	6	120.4463	4.440	6	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.5425	1.339	2	120.5425	1.792	2	120.4463	4.440	6	120.4463	4.440	6	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[3x5,6]S[5,6]C)(C[6a]C[6a]H)2	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[3x5,6]S[5,6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|S<2>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.4727	1.430	6	120.4727	2.044	6	120.4727	2.044	6	120.4528	1.461	8	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:O[5,6]-2:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6]O[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6]O[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3930	0.007	2	120.3930	0.000	2	120.3930	0.000	2	120.4528	1.461	8	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5]O[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5]O[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3305	2.384	2	120.3305	5.682	2	120.3305	5.682	2	120.5717	2.551	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]O[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]O[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6825	0.746	4	120.6825	0.557	4	120.6825	0.557	4	120.5717	2.551	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6]O[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6]O[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7170	3.511	2	120.7170	12.331	2	120.7170	12.331	2	120.5717	2.551	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	P[5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]O[5,6]C[6]P[5])(C[6a]C[6a]H)2	C[5,6](P[5]C[6a]Se[5]Se)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]O[5,6]C[6]P[5])(C[6a]C[6a]H)2{1|Se<1>,1|Se<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](P[5]C[6a]Se[5]Se)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<4>,2|H<1>}	120.4460	1.744	2	120.4460	3.041	2	120.4460	3.041	2	120.5717	2.551	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:O[5]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6,6]O[5]O[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6]){1|P<4>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.2100	3.175	2	120.2100	10.080	2	120.2100	10.080	2	120.6524	1.935	24	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-2:O[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(F)	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5]){1|F<1>,1|N<3>,1|S<2>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	121.5960	0.147	2	121.5960	0.022	2	121.5960	0.022	2	120.6524	1.935	24	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]N)(H)	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5]){1|F<1>,1|N<3>,1|S<2>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>,1|O<2>}	121.8855	0.054	2	121.8855	0.003	2	121.8855	0.003	2	120.6524	1.935	24	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.4740	2.530	2	120.4740	6.401	2	120.6535	3.228	4	120.6524	1.935	24	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.8330	1.776	2	120.8330	3.155	2	120.6535	3.228	4	120.6524	1.935	24	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6980	0.815	4	120.4694	1.841	10	120.4043	1.433	14	120.6524	1.935	24	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.3170	1.687	6	120.4694	1.841	10	120.4043	1.433	14	120.6524	1.935	24	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5]){3|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.1675	1.339	2	120.1675	1.792	2	120.4043	1.433	14	120.6524	1.935	24	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.3155	0.320	2	120.3155	0.103	2	120.4043	1.433	14	120.6524	1.935	24	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.4002	0.713	4	120.4002	0.509	4	120.5279	1.419	8	120.6487	3.397	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.6555	1.661	4	120.6555	2.758	4	120.5279	1.419	8	120.6487	3.397	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1260	2.499	2	120.1260	6.245	2	120.1260	6.245	2	120.6487	3.397	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O){2|H<1>,8|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4885	0.166	2	120.4885	0.028	2	120.4885	0.028	2	120.6487	3.397	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[6,6]O[5,6])(C[6a]C[6a]H)2	C[5,6](C[6,6]C[5a,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[6,6]O[5,6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6]C[5a,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1675	3.532	2	121.1675	12.475	2	120.9985	6.235	4	120.6487	3.397	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[6,6]O[5,6])(C[6a]C[6a]H)2	C[5,6](C[6,6]C[5a,6,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[6,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6,6]C[5a,6,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8295	2.473	2	120.8295	6.115	2	120.9985	6.235	4	120.6487	3.397	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5]-3:O[5,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2{2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8820	3.066	4	120.8820	9.403	4	120.8820	9.403	4	120.6487	3.397	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH){3|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0890	1.484	2	121.0890	2.201	2	121.0890	2.201	2	121.0890	2.201	2	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3010	3.475	2	121.3337	5.703	6	121.3337	5.703	6	121.3529	4.075	8	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3500	2.341	4	121.3337	5.703	6	121.3337	5.703	6	121.3529	4.075	8	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4105	0.037	2	121.4105	0.001	2	121.4105	0.001	2	121.3529	4.075	8	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5]C[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5]C[5,6]O[6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,5|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5930	1.836	4	120.5930	3.372	4	120.5930	3.372	4	120.6010	2.225	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,6]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5]N[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5]N[5,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){10|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.3205	1.627	2	120.3205	2.647	2	120.3205	2.647	2	120.6010	2.225	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8105	2.061	2	120.8105	4.249	2	120.8105	4.249	2	120.6010	2.225	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8380	1.473	4	120.8380	2.171	4	120.8380	2.171	4	120.6010	2.225	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1955	1.835	2	120.1955	3.367	2	120.1955	3.367	2	120.6010	2.225	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5485	0.558	2	120.5485	0.311	2	120.5485	0.311	2	120.6010	2.225	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]O[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]O[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.4950	3.702	2	120.4950	13.708	2	120.4950	13.708	2	120.6010	2.225	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[5,6]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7780	0.689	2	120.7780	0.474	2	120.7780	0.474	2	120.6010	2.225	20	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]B[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]B[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){11|C<3>,1|N<2>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	121.2555	3.002	2	121.4132	4.099	6	121.4132	4.099	6	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6a]B[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6a]B[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){12|C<3>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	121.4920	1.950	4	121.4132	4.099	6	121.4132	4.099	6	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[3,5,6]C[6]N[5])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[3,5,6]C[6]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|C<4>,4|H<1>}	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6265	2.057	2	120.6265	4.231	2	120.6265	4.231	2	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.2040	2.905	2	121.2040	8.438	2	121.2040	8.438	2	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9825	2.515	2	120.9825	6.326	2	120.9825	6.326	2	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6,6]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6,6]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3768	1.441	4	121.3768	2.076	4	121.3768	2.076	4	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5400	2.196	2	120.5400	4.824	2	120.5400	4.824	2	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	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[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|N<3>,1|O<2>,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[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|O<2>,2|C<4>,4|C<3>}	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<4>,3|C<3>,4|H<1>}	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7550	0.894	2	120.7550	0.799	2	120.4975	1.474	6	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,4|C<3>,4|H<1>}	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3790	1.228	2	120.3688	2.124	4	120.4975	1.474	6	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,4|C<3>,4|H<1>}	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	120.3585	2.205	2	120.3688	2.124	4	120.4975	1.474	6	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.4008	0.618	4	120.4008	0.381	4	120.4008	0.381	4	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,4|C<3>,4|H<1>}	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8975	0.684	4	120.8975	0.467	4	120.8975	0.467	4	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,7|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9020	0.613	4	120.9020	0.376	4	120.9020	0.376	4	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6515	1.521	4	120.6515	2.314	4	120.6515	2.314	4	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[6,6]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6]C[6]O[6]2)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[6,6]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[6,6]C[6]O[6]2)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4560	2.029	2	120.4560	4.118	2	120.4560	4.118	2	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1880	1.153	2	121.1880	1.328	2	121.1880	1.328	2	120.8320	1.886	45	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	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[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(CHO)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|N<3>,1|O<2>,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[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(CHO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]P[6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]P[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	121.3162	0.427	4	121.2788	0.121	6	121.2788	0.121	6	121.3234	0.248	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]P[6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]P[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	121.2040	0.205	2	121.2788	0.121	6	121.2788	0.121	6	121.3234	0.248	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{3|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.6250	0.129	2	121.6250	0.017	2	121.3902	0.531	4	121.3234	0.248	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|N<3>,5|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.1555	1.165	2	121.1555	1.356	2	121.3902	0.531	4	121.3234	0.248	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.3990	0.000	1	119.3990	0.000	1	119.3990	0.000	1	119.3990	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:4:	C[5,6]-4:C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H)	C[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(SiC3)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si){1|Si<4>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H){1|Si<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(SiC3){2|C<3>,2|C<4>,2|H<1>}	116.9310	0.000	1	116.9310	0.000	1	116.9310	0.000	1	116.9310	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[6]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5]){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.9998	2.195	8	120.9998	4.816	8	120.9998	4.816	8	120.9449	5.839	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6,6]C[5]O[6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1450	3.830	2	121.1450	14.667	2	121.1450	14.667	2	120.9449	5.839	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6]){4|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5255	3.924	2	120.5255	15.396	2	120.5255	15.396	2	120.9449	5.839	12	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(COO)	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(COO){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	119.2370	0.000	1	119.2370	0.000	1	119.2370	0.000	1	120.5038	6.097	23	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]2C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]2C[5])(C[6a]C[6a]H)2{1|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7235	1.510	2	120.7235	2.279	2	120.7235	2.279	2	120.5038	6.097	23	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]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[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|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[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	120.5960	0.000	1	120.5960	0.000	1	120.0287	11.016	6	120.5038	6.097	23	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]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[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|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[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.9152	3.698	5	119.9152	13.674	5	120.0287	11.016	6	120.5038	6.097	23	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]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[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]O)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|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[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.3140	0.000	1	119.3140	0.000	1	120.7756	9.214	8	120.5038	6.097	23	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]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[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|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[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.1526	3.687	5	121.1526	13.597	5	120.7756	9.214	8	120.5038	6.097	23	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.6700	0.000	1	118.6700	0.000	1	120.7756	9.214	8	120.5038	6.097	23	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.4580	0.000	1	122.4580	0.000	1	120.7756	9.214	8	120.5038	6.097	23	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7975	2.517	2	120.7975	6.333	2	120.7975	6.333	2	120.5038	6.097	23	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,1|S<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]S){1|O<2>,3|C<3>,8|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	119.6240	0.000	1	119.6240	0.000	1	119.6240	0.000	1	120.5038	6.097	23	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]S)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,1|S<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]S){1|O<2>,3|C<3>,8|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.1800	0.000	1	121.1800	0.000	1	121.1800	0.000	1	120.5038	6.097	23	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	P[5,6]-4:C[6a]-3:C[6]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]P[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](P[5,6]C[6]O[5]S)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]P[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<1>,3|C<3>,5|H<1>}	C[5,6](P[5,6]C[6]O[5]S)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	121.0640	0.506	2	121.0640	0.256	2	121.0640	0.256	2	120.5038	6.097	23	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CC)(CHHO)	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CC)(CHHO){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	119.0295	0.503	2	119.0295	0.253	2	119.0295	0.253	2	120.6446	5.321	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	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]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<4>,1|O<2>,3|C<4>,6|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]HH){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.9890	0.000	1	120.9890	0.000	1	121.1785	5.359	11	120.6446	5.321	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|O<2>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.3320	3.605	2	121.3320	12.995	2	121.1785	5.359	11	120.6446	5.321	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	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]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{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[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.7370	0.000	1	122.7370	0.000	1	121.1785	5.359	11	120.6446	5.321	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	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]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{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[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.4530	0.000	1	120.6008	4.231	5	121.1785	5.359	11	120.6446	5.321	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	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]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|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]HH){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	120.8877	2.256	4	120.6008	4.231	5	121.1785	5.359	11	120.6446	5.321	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.7845	4.331	2	121.7845	18.758	2	121.1785	5.359	11	120.6446	5.321	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|O<2>,1|S<4>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH){1|C<4>,3|C<3>,8|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|C<3>,1|N<4>,1|O<2>,4|C<4>}	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	120.6446	5.321	14	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	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]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<4>,1|O<2>,3|C<4>,6|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]HH){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(CCHH)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|O<2>,1|S<4>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH){1|C<4>,3|C<3>,8|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(CCHH){1|C<3>,1|H<1>,1|N<4>,1|O<2>,2|C<4>}	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(N[6a]C[6a])(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	117.6770	0.000	1	117.6770	0.000	1	117.6770	0.000	1	117.6770	0.000	1	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[3,5,6]C[5,6,6]H)(C[6a]C[6a]H)2	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]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[3,5,6]C[5,6,6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,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]C)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0800	1.567	2	121.0800	2.455	2	121.0800	2.455	2	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[3x5,6,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[3x5,6,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2660	6.056	2	121.2660	36.671	2	121.2660	36.671	2	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[3,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[3,5,6]C[5,3x6]H)(C[6a]C[6a]H)2	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[3,5,6]C[5,3x6]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1260	0.748	2	121.1260	0.560	2	121.1260	0.560	2	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|N<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2404	2.681	8	121.2404	7.188	8	121.1921	7.194	10	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(H)	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,8|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	118.3210	0.000	1	118.3210	0.000	1	121.1921	7.194	10	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,8|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.6770	0.000	1	123.6770	0.000	1	121.1921	7.194	10	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,8|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2785	4.385	2	121.2785	19.226	2	121.2785	19.226	2	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Cl)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]Cl)(Cl)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Cl)2{2|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	122.3195	8.869	2	122.3195	78.663	2	122.3195	78.663	2	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(F)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){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]C[5a]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	119.7680	0.000	1	119.7680	0.000	1	119.7680	0.000	1	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,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[6a]C[6a]2)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.5570	0.546	2	122.5570	0.298	2	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){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]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	122.0600	0.000	1	122.1050	1.654	5	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){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]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	122.1163	1.485	4	122.1050	1.654	5	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	121.9900	0.000	1	121.9900	0.000	1	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){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]C[5a]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	124.8140	0.000	1	124.8140	0.000	1	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	122.8210	0.000	1	122.8210	0.000	1	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.4530	0.000	1	124.4530	0.000	1	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]S){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|S<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	122.9460	0.000	1	122.9460	0.000	1	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	125.3920	0.000	1	125.3920	0.000	1	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|As<4>,1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6510	2.618	2	120.6510	6.852	2	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0805	1.573	2	121.0708	4.466	4	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0610	3.305	2	121.0708	4.466	4	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.8748	3.150	4	121.7207	7.021	6	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4125	2.249	2	121.7207	7.021	6	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1697	2.442	4	121.1697	5.964	4	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.0435	1.524	2	122.0435	2.322	2	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.4140	2.934	2	121.4140	8.611	2	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9095	2.469	2	120.9095	6.094	2	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4130	5.740	2	121.4917	9.048	8	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3675	3.239	2	121.4917	9.048	8	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.7110	2.875	2	121.4917	9.048	8	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.4755	3.389	2	121.4917	9.048	8	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|C<4>,3|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[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	121.7865	7.637	2	121.7865	58.331	2	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|N<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.4990	1.749	2	121.4990	3.060	2	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4245	3.770	2	121.4245	14.210	2	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1683	1.759	4	121.1683	3.093	4	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2510	2.472	2	121.2510	6.111	2	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0120	3.468	2	121.0120	12.025	2	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7485	2.886	2	120.7485	8.327	2	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.1160	2.817	7	120.1160	7.934	7	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7410	2.404	2	120.7410	5.780	2	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	118.4610	0.000	1	118.4610	0.000	1	121.4519	5.859	69	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:P[5,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]P[5,5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]P[5,5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<1>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(C[6a]C[6a]2)(H){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.0480	3.872	4	121.0480	14.995	4	121.0480	14.995	4	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:P[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Cr)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2{1|Cr<6>,1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Cr)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.1105	2.848	2	121.1105	8.108	2	121.3001	7.134	8	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:P[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Mo)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2{1|Mo<6>,1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Mo)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.4323	3.241	4	121.4323	10.501	4	121.3001	7.134	8	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:P[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]W)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|W<6>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]W)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.2255	3.190	2	121.2255	10.175	2	121.3001	7.134	8	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8855	2.200	2	120.8855	4.839	2	120.8855	4.839	2	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1033	3.991	4	121.1033	15.932	4	121.0427	8.183	14	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.3370	3.906	2	121.1400	9.019	4	121.0427	8.183	14	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9430	3.412	2	121.1400	9.019	4	121.0427	8.183	14	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1020	4.322	2	121.1020	18.678	2	121.0427	8.183	14	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9565	3.368	2	120.9565	11.343	2	121.0427	8.183	14	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7540	1.126	2	120.7540	1.267	2	121.0427	8.183	14	121.3303	6.963	118	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H)	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	126.5770	0.000	1	126.5770	0.000	1	126.5770	0.000	1	122.0297	15.722	3	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(NS)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(NS){1|C<3>,2|C<4>,3|H<1>}	119.2940	0.000	1	119.2940	0.000	1	119.2940	0.000	1	122.0297	15.722	3	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>,3|H<1>}	120.2180	0.000	1	120.2180	0.000	1	120.2180	0.000	1	122.0297	15.722	3	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6]C[6a])(C[6]C[6,6a]N[6])	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,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[6a]C[6a]2)(H){4|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6]C[6a])(C[6]C[6,6a]N[6]){2|C<4>,4|H<1>,6|C<3>}	120.0435	0.231	2	120.0435	0.053	2	120.0435	0.053	2	120.0435	0.053	2	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){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]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,3|H<1>}	119.0240	0.000	1	119.4558	2.854	5	119.8267	8.801	7	120.0662	6.066	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){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]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,3|H<1>}	119.5637	1.931	4	119.4558	2.854	5	119.8267	8.801	7	120.0662	6.066	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)2{1|Pd<4>,1|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]PdH)(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>,3|C<4>}	125.1690	0.000	1	125.1690	0.000	1	119.8267	8.801	7	120.0662	6.066	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)2{1|Pd<4>,1|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]PdH)(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	116.3390	0.000	1	116.3390	0.000	1	119.8267	8.801	7	120.0662	6.066	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|Br<1>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	120.3490	0.000	1	120.3490	0.000	1	120.3490	0.000	1	120.0662	6.066	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(SCNO)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]S){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|S<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(SCNO){1|C<3>,2|C<4>,3|H<1>}	121.1700	0.000	1	121.1700	0.000	1	121.1700	0.000	1	120.0662	6.066	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(SiC3)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(SiC3){1|C<3>,2|C<4>,3|H<1>}	120.3560	0.000	1	120.3560	0.000	1	120.3560	0.000	1	120.0662	6.066	10	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1855	0.657	2	121.1855	0.432	2	121.2015	1.590	4	119.6366	5.445	40	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2175	2.082	2	121.2175	4.337	2	121.2015	1.590	4	119.6366	5.445	40	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[4,5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6,6]C[4,5,6]O)(C[6a]C[6a]H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6,6]C[4,5,6]O)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.1675	2.290	2	121.1675	5.246	2	121.1675	5.246	2	119.6366	5.445	40	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.2670	0.000	1	120.2670	0.000	1	118.7406	6.345	24	119.6366	5.445	40	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]N)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.2220	0.000	1	119.2220	0.000	1	118.7406	6.345	24	119.6366	5.445	40	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.6809	1.284	18	117.6809	1.648	18	118.7406	6.345	24	119.6366	5.445	40	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|O<2>}	124.8220	0.475	2	124.8220	0.226	2	118.7406	6.345	24	119.6366	5.445	40	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6]){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1925	2.986	2	121.1925	8.917	2	118.7406	6.345	24	119.6366	5.445	40	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6,6]C[6]O[5])(C[6a]C[6a]H)2{1|O<2>,2|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,1|S<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.4500	0.533	2	120.4500	0.284	2	120.4500	0.284	2	119.6366	5.445	40	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.0855	1.365	4	121.0855	1.863	4	121.0855	1.863	4	119.6366	5.445	40	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.4200	0.829	2	120.8265	0.475	4	120.8265	0.475	4	119.6366	5.445	40	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){6|C<3>,7|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2330	0.276	2	120.8265	0.475	4	120.8265	0.475	4	119.6366	5.445	40	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.8240	0.686	2	119.8240	0.470	2	119.8240	0.470	2	119.8240	0.470	2	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	124.1340	0.000	1	123.5150	0.766	2	124.8892	2.096	18	124.8892	2.096	18	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	122.8960	0.000	1	123.5150	0.766	2	124.8892	2.096	18	124.8892	2.096	18	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	125.0610	1.429	16	125.0610	2.041	16	124.8892	2.096	18	124.8892	2.096	18	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5470	1.131	2	120.5470	1.280	2	120.7545	0.651	4	121.0305	2.125	8	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9620	0.709	2	120.9620	0.502	2	120.7545	0.651	4	121.0305	2.125	8	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[6,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3065	2.026	4	121.3065	4.104	4	121.3065	4.104	4	121.0305	2.125	8	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:P[5]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]C[6]P[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]C[6]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	121.6857	1.020	4	121.6857	1.041	4	121.6857	1.041	4	121.6857	1.041	4	120.9074	4.294	650	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	126.3550	0.000	1	126.3550	0.000	1	126.3550	0.000	1	126.3550	0.000	1	120.9349	6.541	10	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,6|C<4>}	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	122.3460	0.000	1	122.0910	0.130	2	122.0910	0.130	2	122.0910	0.130	2	120.9349	6.541	10	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<4>}	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	121.8360	0.000	1	122.0910	0.130	2	122.0910	0.130	2	122.0910	0.130	2	120.9349	6.541	10	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]O[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|B<3>,1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]O[6]HH){1|C<3>,3|C<4>,3|H<1>}	119.6950	0.000	1	119.6950	0.000	1	119.6950	0.000	1	119.6950	0.000	1	120.9349	6.541	10	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.5950	0.000	1	121.5950	0.000	1	121.5950	0.000	1	121.5950	0.000	1	120.9349	6.541	10	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	121.5800	0.313	2	121.5800	0.098	2	121.5800	0.098	2	121.5800	0.098	2	120.9349	6.541	10	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.1800	0.091	2	118.1800	0.008	2	118.1800	0.008	2	118.1800	0.008	2	120.9349	6.541	10	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6]){2|C<3>,3|C<4>,4|H<1>}	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	120.9349	6.541	10	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]O[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	119.0425	0.544	2	119.0425	0.296	2	119.0425	0.296	2	119.0425	0.296	2	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]2)(O[5]C[5])(H)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]O[5]H){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]2)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	119.9010	4.961	2	119.9010	24.612	2	119.9010	24.612	2	120.0015	3.635	8	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]O[5]H)	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]O[5]H){2|H<1>,3|C<4>,5|C<3>}	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	120.0350	0.402	6	120.0350	0.162	6	120.0350	0.162	6	120.0015	3.635	8	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)2(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	121.3400	0.000	1	121.3400	0.000	1	121.3400	0.000	1	121.3400	0.000	1	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2H){1|N<2>,2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)(H){2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.7980	1.683	2	120.7980	2.832	2	120.7980	2.832	2	120.7980	2.832	2	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]H)	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]H){1|N<2>,4|H<1>,7|C<3>}	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H){7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.2480	0.648	2	120.2480	0.420	2	120.2480	0.420	2	119.4853	1.955	3	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]H){1|N<2>,3|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	119.4853	1.955	3	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]H)	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]H){1|N<2>,4|H<1>,7|C<3>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){5|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.9630	1.390	14	119.9630	1.931	14	119.9630	1.931	14	120.1548	1.757	18	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	121.5500	0.024	2	121.5500	0.001	2	120.8263	0.816	4	120.1548	1.757	18	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	119.6820	0.000	1	119.6820	0.000	1	120.8263	0.816	4	120.1548	1.757	18	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.5230	0.000	1	120.5230	0.000	1	120.8263	0.816	4	120.1548	1.757	18	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	119.9535	0.118	2	119.9535	0.014	2	119.9535	0.014	2	119.7940	0.083	3	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){5|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.4750	0.000	1	119.4750	0.000	1	119.4750	0.000	1	119.7940	0.083	3	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:3:4:	3:4:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2C){2|C<4>,3|C<3>,6|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	122.2370	0.000	1	122.2370	0.000	1	122.2370	0.000	1	122.2370	0.000	1	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:2:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a])	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.5620	0.165	2	118.5620	0.027	2	118.5620	0.027	2	119.3560	1.208	4	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:2:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a])	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.8830	0.000	1	120.1500	1.075	2	120.1500	1.075	2	119.3560	1.208	4	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:2:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a])	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	119.4170	0.000	1	120.1500	1.075	2	120.1500	1.075	2	119.3560	1.208	4	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(N[6a]C[6a,6a])	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(N[6a]C[6a,6a]){2|C<4>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.9730	0.000	1	119.9730	0.000	1	119.9730	0.000	1	119.9730	0.000	1	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	120.7935	0.387	2	120.7935	0.150	2	120.7935	0.150	2	119.5357	1.167	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	119.1800	0.000	1	118.6665	0.527	2	118.9068	0.313	4	119.5357	1.167	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	118.1530	0.000	1	118.6665	0.527	2	118.9068	0.313	4	119.5357	1.167	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	119.1470	0.424	2	119.1470	0.180	2	118.9068	0.313	4	119.5357	1.167	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]2H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]2H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H){2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	121.1643	0.742	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H){1|O<1>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.3410	0.000	1	120.3410	0.000	1	120.3410	0.000	1	121.1643	0.742	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]N[5]S)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]N[5]S)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	121.7030	0.000	1	121.7030	0.000	1	121.9037	0.083	3	121.1643	0.742	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]O[5]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]O[5]C)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	121.7740	0.000	1	121.7740	0.000	1	121.9037	0.083	3	121.1643	0.742	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]C[5]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	122.2340	0.000	1	122.2340	0.000	1	121.9037	0.083	3	121.1643	0.742	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[3,5]-3:N[5]-3:H-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]N[3,5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[3,5]C[3,5]C[3])(N[5]C[5]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]N[3,5]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[3,5]C[3,5]C[3])(N[5]C[5]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|N<3>,3|H<1>,4|C<3>}	120.8230	0.000	1	120.8230	0.000	1	120.8230	0.000	1	121.1643	0.742	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O[5])(C[6a]N[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	122.2375	2.458	2	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]O)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]Br)(N[5]C[5]S)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]O)(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]Br)(N[5]C[5]S)(OC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	123.3460	0.000	1	123.3460	0.000	1	123.3460	0.000	1	122.2375	2.458	2	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]2C[6a])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,9|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.5900	0.000	1	122.5900	0.000	1	122.5900	0.000	1	122.5900	0.000	1	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O){4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.8855	0.532	2	120.8855	0.284	2	120.8623	0.143	3	119.5274	0.878	15	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H){1|O<1>,2|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.8160	0.000	1	120.8160	0.000	1	120.8623	0.143	3	119.5274	0.878	15	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.4350	0.000	1	120.4350	0.000	1	120.4350	0.000	1	119.5274	0.878	15	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.7090	0.000	1	118.7090	0.000	1	118.7090	0.000	1	119.5274	0.878	15	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]C[5]H)(C[6a]C[6a]H)	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	119.1180	0.623	10	119.1180	0.388	10	119.1180	0.388	10	119.5274	0.878	15	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH){1|Si<4>,4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.4380	0.000	1	120.4380	0.000	1	121.4410	2.012	2	121.4410	2.012	2	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]O){2|H<1>,3|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH){1|Si<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	122.4440	0.000	1	122.4440	0.000	1	121.4410	2.012	2	121.4410	2.012	2	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[3,5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5]C[3,5]O[5]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(O[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5]C[3,5]O[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(O[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	123.1095	0.910	2	123.1095	0.828	2	123.1095	0.828	2	123.1095	0.828	2	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,5]O[5]H)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	120.9594	0.885	5	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	120.9310	0.000	1	120.9310	0.000	1	121.1587	0.076	3	120.9594	0.885	5	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.4640	0.000	1	121.2725	0.073	2	121.1587	0.076	3	120.9594	0.885	5	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.0810	0.000	1	121.2725	0.073	2	121.1587	0.076	3	120.9594	0.885	5	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.4170	0.000	1	119.4170	0.000	1	119.4170	0.000	1	120.9594	0.885	5	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,4|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	120.5955	1.152	6	120.5955	1.326	6	120.5955	1.326	6	119.7368	1.137	19	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.4820	0.000	1	120.4820	0.000	1	119.3405	0.614	13	119.7368	1.137	19	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.6070	0.000	1	119.6070	0.000	1	119.3405	0.614	13	119.7368	1.137	19	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,4|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.5830	0.000	1	118.5830	0.000	1	119.3405	0.614	13	119.7368	1.137	19	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,4|C<3>,5|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.8725	0.047	2	118.8725	0.002	2	119.3405	0.614	13	119.7368	1.137	19	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.1200	0.000	1	120.1200	0.000	1	119.3405	0.614	13	119.7368	1.137	19	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]HH)(N[5]C[5]Cu)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|Cu<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]HH)(N[5]C[5]Cu)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.8688	0.947	4	118.8688	0.897	4	119.3405	0.614	13	119.7368	1.137	19	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O){1|N<3>,3|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	119.8047	0.264	3	119.8047	0.070	3	119.3405	0.614	13	119.7368	1.137	19	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:3:2:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,5|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.4790	0.000	1	119.4790	0.000	1	119.4790	0.000	1	119.4790	0.000	1	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	120.0122	0.411	8	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.8700	0.000	1	119.8700	0.000	1	120.2980	0.366	2	120.0122	0.411	8	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	120.7260	0.000	1	120.7260	0.000	1	120.2980	0.366	2	120.0122	0.411	8	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.6890	0.427	5	119.6890	0.183	5	119.6890	0.183	5	120.0122	0.411	8	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	118.5720	0.676	2	118.5720	0.457	2	119.2282	1.032	5	119.6845	2.074	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H){1|H<1>,1|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	118.4520	0.000	1	118.4520	0.000	1	119.2282	1.032	5	119.6845	2.074	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	120.3830	0.000	1	120.3830	0.000	1	119.2282	1.032	5	119.6845	2.074	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	120.1620	0.000	1	120.1620	0.000	1	119.2282	1.032	5	119.6845	2.074	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	119.6845	2.074	6	120.0954	1.750	117	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	2:3:4:	3:4:4:1:	3:3:1:	N[6a]-2:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	120.2480	0.000	1	120.2480	0.000	1	120.2480	0.000	1	120.2480	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	2:2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](O[5]C[5,5,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.5395	1.216	2	120.5395	1.477	2	120.1544	1.376	12	120.1544	1.376	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	2:2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	119.8732	0.379	6	120.0774	1.478	10	120.1544	1.376	12	120.1544	1.376	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	2:2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.3837	1.996	4	120.0774	1.478	10	120.1544	1.376	12	120.1544	1.376	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	2:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	O[5]-2:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	120.5735	1.925	2	120.5735	3.707	2	120.5735	3.707	2	120.5735	3.707	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:2:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:S[5]-2:S[5]-2:H-1:	C[6a]-3:O[6a]-2:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]S[5]2H)	C[5](C[6a]C[6a]2)(S[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]S[5]2H){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(S[5]C[5])2(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O){2|C<3>,2|H<1>,2|S<2>}	114.4720	0.000	1	114.4720	0.000	1	114.4720	0.000	1	114.4720	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:2:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(NHN)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(C[5]O[5]2H){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(NHN){2|C<3>,2|H<1>,2|O<2>}	122.9880	0.000	1	122.9880	0.000	1	122.9880	0.000	1	122.9880	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]O[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.9465	0.327	2	120.9465	0.107	2	120.9465	0.107	2	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){2|O<2>,3|C<3>,3|H<1>}	119.6190	0.426	2	119.6693	0.098	3	119.6660	0.066	4	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){2|O<2>,3|C<3>,3|H<1>}	119.7700	0.000	1	119.6693	0.098	3	119.6660	0.066	4	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(C[5]O[5]2H){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	119.6560	0.000	1	119.6560	0.000	1	119.6660	0.066	4	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.6460	0.000	1	122.0470	0.944	3	122.0470	0.944	3	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Br<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|O<2>,3|H<1>}	122.2475	1.283	2	122.0470	0.944	3	122.0470	0.944	3	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|O<2>,3|H<1>}	122.8010	0.000	1	122.8010	0.000	1	122.8010	0.000	1	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|F<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,2|O<2>,3|H<1>}	124.0620	0.000	1	124.0620	0.000	1	124.0620	0.000	1	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){2|C<3>,2|H<1>,2|O<2>}	120.0750	0.881	2	120.1567	0.408	3	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){2|C<3>,2|H<1>,2|O<2>}	120.3200	0.000	1	120.1567	0.408	3	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	120.4620	0.000	1	120.4620	0.000	1	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Br<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|H<1>,2|O<2>}	121.7910	0.574	2	121.7910	0.330	2	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.6220	0.000	1	120.6220	0.000	1	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	118.4770	0.000	1	118.4770	0.000	1	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<2>}	118.9980	0.000	1	118.9980	0.000	1	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|F<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|H<1>,2|O<2>}	118.8640	0.000	1	118.8640	0.000	1	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	118.2580	0.000	1	118.1075	1.241	4	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	118.0573	1.359	3	118.1075	1.241	4	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	121.9250	0.000	1	121.9250	0.000	1	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<3>,2|H<1>,2|O<2>}	120.4870	0.000	1	118.0152	2.167	5	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|H<1>,2|O<2>}	117.3972	0.586	4	118.0152	2.167	5	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	119.8180	3.960	2	119.8976	2.780	10	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	119.8655	2.262	2	119.8976	2.780	10	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<2>}	119.9348	0.917	6	119.8976	2.780	10	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	119.9770	0.492	2	120.2488	0.498	10	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.0367	0.768	4	120.2488	0.498	10	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	121.1355	0.339	2	120.2488	0.498	10	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.0580	0.622	2	120.2488	0.498	10	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	120.6770	0.715	4	120.3215	1.622	14	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.2239	1.629	8	120.3215	1.622	14	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	120.0010	0.427	2	120.3215	1.622	14	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H){1|S<2>,2|C<3>,2|O<2>,3|H<1>}	119.9650	0.000	1	119.9650	0.000	1	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	119.4400	0.000	1	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	118.3620	0.000	1	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	121.4255	2.119	2	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.2090	1.607	2	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<2>}	120.1750	1.229	2	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.0893	0.231	4	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<2>}	119.9395	0.845	2	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	120.2417	0.769	6	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.0968	2.270	4	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<2>}	120.0847	1.140	6	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.2440	2.577	2	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	120.5345	1.225	2	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	120.9005	2.775	2	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	119.9108	6.592	4	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<2>}	120.9945	0.199	2	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.1630	0.000	1	120.2129	4.541	43	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|O<2>,3|H<1>}	120.5580	0.000	1	120.5580	0.000	1	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|O<2>,3|H<1>}	121.4160	0.000	1	121.4160	0.000	1	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,4|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	121.1400	0.000	2	121.1400	0.000	2	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Se<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,2|H<1>,2|O<2>}	118.8155	0.479	2	118.8155	0.229	2	120.0277	3.071	104	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:S[5]-2:S[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]S[5]2H)	C[5](C[6a]C[6a]2)(S[5]C[5])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]S[5]2H){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(S[5]C[5])2(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|S<2>}	125.6850	0.000	1	125.6850	0.000	1	125.6850	0.000	1	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:S[5]-2:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]S[5]2H)	C[5](C[6a]C[6a]2)(S[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]S[5]2H){1|C<3>,1|N<3>,3|C<4>}	C[5](C[6a]C[6a]2)(S[5]C[5])2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	124.1620	0.000	1	124.1620	0.000	1	124.1620	0.000	1	120.2246	3.461	117	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC){1|C<3>,2|O<2>,3|H<1>}	122.5950	0.000	1	122.5950	0.000	1	122.5950	0.000	1	120.6305	5.415	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|C<3>,2|H<1>,2|O<2>}	117.6030	0.000	1	117.6030	0.000	1	120.5613	3.603	6	120.6305	5.415	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>,3|H<1>}	120.2050	0.000	1	120.2050	0.000	1	120.5613	3.603	6	120.6305	5.415	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|O<2>}	121.3900	1.459	4	121.3900	2.129	4	120.5613	3.603	6	120.6305	5.415	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:Se-2:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Se<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe){1|C<3>,2|O<2>,3|H<1>}	122.1015	1.527	2	122.1015	2.331	2	122.1015	2.331	2	120.6305	5.415	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:S[5]-2:S[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]S[5]2H)	C[5](C[6a]C[6a]2)(S[5]C[5])2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C[5])(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]S[5]2H){1|C<3>,1|N<3>,3|C<4>}	C[5](C[6a]C[6a]2)(S[5]C[5])2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C[5])(OH){1|C<3>,2|N<2>,2|S<2>,3|H<1>}	116.1390	0.000	1	116.1390	0.000	1	116.1390	0.000	1	120.6305	5.415	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|O<2>,3|H<1>}	122.2900	0.000	1	122.2900	0.000	1	121.9123	0.787	3	121.5765	4.797	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8990	0.000	1	120.8990	0.000	1	121.9123	0.787	3	121.5765	4.797	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>,3|O<2>}	122.5480	0.000	1	122.5480	0.000	1	121.9123	0.787	3	121.5765	4.797	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(C[5]O[5]2H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,2|O<2>,4|C<3>}	120.0570	2.841	2	120.0570	8.072	2	120.0570	8.072	2	121.5765	4.797	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>,3|H<1>}	122.2090	0.901	2	122.2090	0.812	2	123.6807	6.903	3	121.5765	4.797	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|O<2>,3|H<1>}	126.6240	0.000	1	126.6240	0.000	1	123.6807	6.903	3	121.5765	4.797	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|O<2>,3|H<1>}	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	121.5765	4.797	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(N[5]C[5,6]C[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,4|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(N[5]C[5,6]C[5])(C[6a]C[6a]C){1|Cr<9>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	120.3190	0.000	2	120.3190	0.000	2	120.3190	0.000	2	121.5765	4.797	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2C){1|C<3>,2|O<2>,3|H<1>}	124.0990	0.000	1	124.0990	0.000	1	123.4105	0.353	4	123.4105	0.353	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]CO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]CO){1|C<3>,2|O<2>,3|H<1>}	123.1810	0.462	3	123.1810	0.213	3	123.4105	0.353	4	123.4105	0.353	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2O)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	120.3285	1.572	2	120.3285	2.471	2	120.3285	2.471	2	120.3285	2.471	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[4,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3)	C[6a](C[6a]C[4,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[4,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	123.3150	0.000	1	123.3150	0.000	1	123.3150	0.000	1	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	123.4570	0.000	1	123.9600	0.506	2	123.9600	0.506	2	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	124.4630	0.000	1	123.9600	0.506	2	123.9600	0.506	2	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.5440	0.000	1	119.5440	0.000	1	120.2915	0.905	22	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	119.6050	0.000	1	119.0170	0.691	2	120.2915	0.905	22	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	118.4290	0.000	1	119.0170	0.691	2	120.2915	0.905	22	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	119.2600	0.000	1	119.2600	0.000	1	120.2915	0.905	22	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	120.8560	0.000	1	120.8560	0.000	1	120.2915	0.905	22	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C){1|C<3>,1|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,4|O<2>}	120.8920	0.000	1	120.8920	0.000	1	120.2915	0.905	22	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.8230	0.161	2	119.8230	0.026	2	120.2915	0.905	22	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7355	0.733	2	120.7355	0.538	2	120.2915	0.905	22	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	121.1058	1.454	4	120.9002	1.384	6	120.2915	0.905	22	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	120.4890	0.259	2	120.9002	1.384	6	120.2915	0.905	22	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.3137	0.127	4	120.2182	0.440	6	120.2915	0.905	22	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,2|O<2>}	120.0270	1.430	2	120.2182	0.440	6	120.2915	0.905	22	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:S[5]-2:S[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]S[5]2C)	C[5](C[6a]C[6a]2)(S[5]C[5,5])2(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]S[5]2C){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(S[5]C[5,5])2(CC[6a]HH){2|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	120.7780	4.428	2	120.7780	19.606	2	120.7780	19.606	2	120.7113	2.727	27	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.8880	0.000	1	121.8880	0.000	1	121.6525	0.111	2	121.6525	0.111	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C){1|C<3>,1|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	121.4170	0.000	1	121.4170	0.000	1	121.6525	0.111	2	121.6525	0.111	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1770	0.000	1	121.1770	0.000	1	121.1770	0.000	1	121.6490	0.446	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:2:2:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.1210	0.000	1	122.1210	0.000	1	122.1210	0.000	1	121.6490	0.446	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.9235	1.630	2	120.9235	2.657	2	120.7415	1.537	4	120.5783	3.836	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.5595	1.350	2	120.5595	1.822	2	120.7415	1.537	4	120.5783	3.836	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:S[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]S[5]2H)	C[5](C[6a]C[6a]2)(S[5]C[5]O)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]S[5]2H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(S[5]C[5]O)(S[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	120.2520	3.775	2	120.2520	14.247	2	120.2520	14.247	2	120.5783	3.836	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2C){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.2610	0.000	1	123.2610	0.000	1	123.2610	0.000	1	120.5933	2.625	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2C){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.7130	0.000	1	119.7130	0.000	1	120.0598	1.147	5	120.5933	2.625	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.9580	1.814	2	120.1465	1.479	4	120.0598	1.147	5	120.5933	2.625	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.3350	1.001	2	120.1465	1.479	4	120.0598	1.147	5	120.5933	2.625	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.8720	3.208	4	120.8720	10.289	4	120.8720	10.289	4	120.8720	10.289	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)2(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)2(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	121.7530	0.000	1	121.7530	0.000	1	121.7530	0.000	1	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5650	3.141	2	120.5650	9.866	2	120.6759	2.515	8	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9675	1.248	2	120.9675	1.558	2	120.6759	2.515	8	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5855	1.409	4	120.5855	1.986	4	120.6759	2.515	8	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.1220	1.959	2	121.1220	3.836	2	121.1220	3.836	2	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.2670	0.000	1	119.2670	0.000	1	120.3820	1.651	12	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]C[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(H){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	117.6620	0.000	1	117.6620	0.000	1	120.3820	1.651	12	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)(H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7330	0.919	2	120.7330	0.845	2	120.3820	1.651	12	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|S<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C)(H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.0895	0.590	2	121.0895	0.349	2	120.3820	1.651	12	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6975	1.971	2	120.6975	3.884	2	120.3820	1.651	12	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]O[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]O[5]N)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.6538	0.949	4	120.6538	0.902	4	120.3820	1.651	12	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|O<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	120.8925	0.743	4	120.8925	0.552	4	120.8925	0.552	4	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|N<3>,3|H<1>}	124.6220	0.000	1	124.6220	0.000	1	124.6220	0.000	1	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	120.4815	0.902	4	120.4815	0.814	4	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	121.9160	0.000	1	121.9160	0.000	1	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	119.7270	0.000	1	119.7270	0.000	1	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	118.2240	0.000	1	118.2240	0.000	1	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	120.4015	0.499	2	120.4015	0.249	2	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]Au)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Au<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Au)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.0855	1.746	2	120.0855	3.048	2	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|N<3>,3|H<1>}	120.3046	0.927	5	120.3046	0.859	5	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	121.4435	0.448	2	121.2583	0.443	7	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	121.1842	0.768	5	121.2583	0.443	7	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,4|H<1>,4|N<3>}	120.0740	0.078	2	120.0740	0.006	2	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.3065	0.862	2	120.3065	0.743	2	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.5505	0.774	2	120.5505	0.600	2	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	122.5585	0.907	2	121.0009	1.867	14	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.8977	1.256	10	121.0009	1.867	14	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	119.9590	1.458	2	121.0009	1.867	14	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|N<3>,3|H<1>}	118.6440	0.608	2	118.6440	0.370	2	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	121.4825	3.351	2	120.6885	8.916	6	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	120.2915	3.238	4	120.6885	8.916	6	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.6305	2.282	2	120.6305	5.207	2	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|H<1>,2|N<3>}	120.5310	0.482	2	120.7081	0.810	8	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.7672	1.035	6	120.7081	0.810	8	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5255	2.822	4	120.4667	4.274	30	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.5563	1.184	4	120.4667	4.274	30	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5400	2.051	8	120.4667	4.274	30	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	119.8855	0.231	2	120.4667	4.274	30	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.4597	1.913	8	120.4667	4.274	30	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Pt<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.0095	5.643	2	120.4667	4.274	30	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Pt<6>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.9430	2.695	2	120.4667	4.274	30	120.5639	2.674	91	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){2|N<3>,3|C<3>,3|H<1>}	123.0980	0.000	1	123.0980	0.000	1	123.0980	0.000	1	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){2|C<3>,2|H<1>,2|N<3>}	118.1680	0.000	1	118.1680	0.000	1	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|B<6>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|B<5>,1|C<4>,2|C<3>,2|H<1>,4|B<6>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.4655	2.450	4	120.4581	4.887	8	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|B<6>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|B<5>,1|C<4>,2|C<3>,2|H<1>,4|B<6>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.8460	2.885	2	120.4581	4.887	8	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|B<6>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|B<5>,1|C<4>,2|C<3>,2|H<1>,4|B<6>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	120.0555	2.693	2	120.4581	4.887	8	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.1550	1.211	2	120.1550	1.465	2	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|H<1>,2|N<3>}	120.8260	3.176	2	120.8260	10.089	2	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|H<1>,2|N<3>}	120.4700	0.252	2	120.4710	1.928	6	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	120.4715	1.787	4	120.4710	1.928	6	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	120.4603	0.350	4	120.4900	0.549	8	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.6095	1.627	2	120.4900	0.549	8	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.4300	0.888	2	120.4900	0.549	8	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.9845	4.851	2	120.9845	23.537	2	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.6823	1.742	12	120.6823	3.034	12	120.5048	3.073	41	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.0925	0.790	2	120.0925	0.624	2	120.5003	2.371	6	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|O<2>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.4895	3.154	2	120.4895	9.950	2	120.5003	2.371	6	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H){6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.9190	0.772	2	120.9190	0.596	2	120.5003	2.371	6	120.6006	2.666	167	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]C[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(H){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2){3|C<3>,3|H<1>}	123.2120	0.000	1	123.2120	0.000	1	123.2120	0.000	1	121.5860	7.291	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHO){1|C<3>,2|N<3>,3|H<1>}	123.0770	0.000	1	123.0770	0.000	1	123.0770	0.000	1	121.5860	7.291	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	118.4690	0.000	1	118.4690	0.000	1	118.4690	0.000	1	121.5860	7.291	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){3|C<3>,3|H<1>}	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2O){2|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH){1|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	119.2650	0.000	1	119.2650	0.000	1	119.2892	6.420	4	120.2848	2.562	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2O){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.2070	0.000	1	116.2070	0.000	1	119.2892	6.420	4	120.2848	2.562	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8425	2.221	2	120.8425	4.933	2	119.2892	6.420	4	120.2848	2.562	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH){2|H<1>,2|O<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.6455	0.694	4	120.6455	0.481	4	120.6455	0.481	4	120.2848	2.562	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9197	0.678	4	120.9197	0.459	4	120.9197	0.459	4	120.2848	2.562	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2O){2|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH){1|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[5]C[5]2C)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[5]C[5]2C){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<2>,1|H<1>,4|C<3>}	119.0330	0.115	2	119.0330	0.013	2	119.0330	0.013	2	121.2897	15.284	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2O){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|O<2>,2|H<1>,3|C<3>}	125.8030	0.000	1	125.8030	0.000	1	125.8030	0.000	1	121.2897	15.284	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5875	1.252	4	120.5875	1.566	4	120.5875	1.566	4	120.5481	2.772	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]O){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.1455	1.654	2	121.1455	2.735	2	121.1455	2.735	2	120.5481	2.772	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2N){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.5640	0.000	1	118.5640	0.000	1	118.5640	0.000	1	120.5481	2.772	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.1030	1.295	2	120.1030	1.678	2	120.5030	7.048	4	120.5481	2.772	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,4|C<3>}	120.9030	4.339	2	120.9030	18.825	2	120.5030	7.048	4	120.5481	2.772	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8190	2.116	2	120.8190	4.476	2	120.6833	2.200	6	120.5481	2.772	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	120.5440	2.516	2	120.5440	6.330	2	120.6833	2.200	6	120.5481	2.772	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6870	0.346	2	120.6870	0.120	2	120.6833	2.200	6	120.5481	2.772	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2N){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	121.1440	0.000	1	121.1440	0.000	1	121.1440	0.000	1	121.1440	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:S-4:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2S)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2S){2|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(SCOO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|O<1>,1|S<4>,4|C<3>}	126.5670	0.000	1	126.5670	0.000	1	126.5670	0.000	1	126.5670	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3035	1.330	2	121.3035	1.769	2	121.2043	0.828	6	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1547	0.883	4	121.1547	0.780	4	121.2043	0.828	6	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2S)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(SCOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2S){2|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(SCOO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	113.9820	0.000	1	113.9820	0.000	1	113.9820	0.000	1	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3525	2.937	2	121.3525	8.624	2	120.9395	2.357	6	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH){1|Ru<8>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6055	1.155	2	120.6055	1.333	2	120.9395	2.357	6	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8605	1.119	2	120.8605	1.253	2	120.9395	2.357	6	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<2>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0548	1.557	6	121.1988	2.231	8	121.0710	2.012	10	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<2>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	121.6305	1.732	2	121.1988	2.231	8	121.0710	2.012	10	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5600	1.355	2	120.5600	1.836	2	121.0710	2.012	10	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2(CF3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2(CF3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	118.3300	0.000	1	118.3300	0.000	1	118.8592	0.348	5	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2(CF3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2(CF3){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	118.9915	0.589	4	118.9915	0.347	4	118.8592	0.348	5	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|N<3>}	120.3035	1.571	4	120.3035	2.467	4	120.3035	2.467	4	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|N<2>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CCHH){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.1467	2.433	4	121.1467	5.921	4	121.1287	2.958	8	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|N<2>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CC[5]HH){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.1107	0.990	4	121.1107	0.980	4	121.1287	2.958	8	120.5524	3.335	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2(CF3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2(CF3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	123.7150	0.000	1	123.7150	0.000	1	122.3364	2.230	5	122.3364	2.230	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2(CF3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[5]N[5]2C){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2(CF3){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	121.9917	1.477	4	121.9917	2.181	4	122.3364	2.230	5	122.3364	2.230	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]H){1|N<2>,3|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.8040	0.000	1	121.8040	0.000	1	121.8040	0.000	1	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	120.4850	0.000	1	120.4850	0.000	1	120.4850	0.000	1	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	122.8255	0.363	2	122.8255	0.132	2	122.8255	0.132	2	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	120.7780	0.000	1	120.7780	0.000	1	120.7467	0.688	31	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.0215	0.343	2	120.0215	0.118	2	120.7467	0.688	31	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5005	1.394	2	120.8036	0.413	10	120.7467	0.688	31	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6550	0.420	4	120.8036	0.413	10	120.7467	0.688	31	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.1037	0.451	4	120.8036	0.413	10	120.7467	0.688	31	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0280	1.568	2	121.0280	2.460	2	120.7467	0.688	31	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7845	0.831	2	120.7845	0.690	2	120.7467	0.688	31	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8605	0.678	2	120.9112	0.548	6	120.7467	0.688	31	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9365	0.870	4	120.9112	0.548	6	120.7467	0.688	31	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8045	0.152	4	120.8045	0.023	4	120.7467	0.688	31	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4950	1.748	4	120.4950	3.056	4	120.7467	0.688	31	120.8882	0.879	35	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.3245	0.200	2	121.3245	0.040	2	121.4657	1.271	4	121.4657	1.271	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<2>,1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.6070	1.922	2	121.6070	3.694	2	121.4657	1.271	4	121.4657	1.271	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9758	0.619	4	120.7875	0.691	6	120.7875	0.691	6	120.7875	0.691	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4110	1.372	2	120.7875	0.691	6	120.7875	0.691	6	120.7875	0.691	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2N)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2N){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.5410	0.833	2	120.5410	0.694	2	120.5410	0.694	2	120.5410	0.694	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2N)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2N){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2460	0.986	2	121.2460	0.972	2	121.2460	0.972	2	121.2460	0.972	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1540	0.888	2	121.1540	0.789	2	121.1540	0.789	2	121.1540	0.789	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:2:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	123.3742	1.022	6	123.4480	0.908	7	123.4480	0.908	7	121.4820	4.721	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:2:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	123.8910	0.000	1	123.4480	0.908	7	123.4480	0.908	7	121.4820	4.721	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:2:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	119.5050	0.600	6	119.5160	0.301	7	119.5160	0.301	7	121.4820	4.721	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:2:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	119.5820	0.000	1	119.5160	0.301	7	119.5160	0.301	7	121.4820	4.721	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	115.3090	0.000	1	115.3090	0.000	1	115.3090	0.000	1	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.5900	0.057	2	119.5900	0.003	2	120.2347	0.625	4	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2030	0.000	1	121.2030	0.000	1	120.2347	0.625	4	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5560	0.000	1	120.5560	0.000	1	120.2347	0.625	4	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	121.2620	0.000	1	121.2620	0.000	1	120.7843	2.100	12	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1370	1.782	2	120.7360	2.070	3	120.7843	2.100	12	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.9340	0.000	1	120.7360	2.070	3	120.7843	2.100	12	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5940	2.080	2	120.5940	4.328	2	120.7843	2.100	12	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7590	2.182	4	120.7590	4.762	4	120.7843	2.100	12	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8585	0.166	2	120.8585	0.028	2	120.7843	2.100	12	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	121.0530	0.000	1	121.0530	0.000	1	121.0530	0.000	1	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	120.5450	0.000	1	120.5450	0.000	1	120.8295	0.162	2	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	121.1140	0.000	1	121.1140	0.000	1	120.8295	0.162	2	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	120.6500	0.000	1	120.6500	0.000	1	121.3815	1.070	2	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	122.1130	0.000	1	122.1130	0.000	1	121.3815	1.070	2	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.5400	0.826	2	118.5400	0.682	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	120.5310	0.000	1	120.5310	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	119.9760	0.000	1	119.9760	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.1410	0.000	1	119.1410	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.7040	0.000	1	121.7040	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	119.8580	0.000	1	119.8580	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8630	0.000	1	119.8630	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|Cl<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1930	0.000	1	120.1930	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.0790	0.000	1	121.5385	4.746	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.9980	0.000	1	121.5385	4.746	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]C)(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2905	0.351	2	121.2905	0.124	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(H){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7435	0.436	2	120.7435	0.190	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6745	0.655	2	121.0102	0.406	8	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1585	0.725	4	121.0102	0.406	8	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0495	0.723	2	121.0102	0.406	8	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9930	0.994	2	120.9930	0.988	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7695	1.668	2	121.1305	4.940	4	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.4915	3.393	2	121.1305	4.940	4	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|N<3>,1|S<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]S)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4110	0.707	2	120.4110	0.500	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7060	1.366	2	120.9728	2.634	12	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9442	0.647	6	120.9728	2.634	12	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0845	3.512	2	120.9728	2.634	12	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2140	3.520	2	120.9728	2.634	12	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6935	0.528	4	120.7475	0.175	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8555	0.047	2	120.7475	0.175	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]N)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6115	0.234	2	120.6115	0.055	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6285	0.637	2	120.6285	0.406	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]N)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5885	1.947	2	120.5885	3.790	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7550	0.389	2	120.6202	0.081	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5528	0.258	4	120.6202	0.081	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6385	2.674	2	120.6385	7.148	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]S[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]S[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5590	0.926	2	120.5590	0.858	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.9290	0.290	2	120.9388	0.819	24	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7835	0.795	2	120.9388	0.819	24	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9070	0.619	2	120.9388	0.819	24	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9427	0.307	4	120.9388	0.819	24	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5545	3.767	2	120.9388	0.819	24	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.7280	0.840	2	120.9388	0.819	24	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0430	1.022	2	120.9388	0.819	24	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1910	0.286	2	120.9388	0.819	24	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9682	0.294	4	120.9388	0.819	24	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3075	0.565	2	120.9388	0.819	24	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2540	0.190	2	121.2540	0.036	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2835	0.069	2	121.2835	0.005	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|S<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]S)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5970	0.615	4	120.5970	0.379	4	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3485	0.252	2	121.3485	0.064	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	118.6130	0.000	1	118.6130	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	120.2075	0.573	2	120.2075	0.329	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.7920	0.000	1	120.6672	0.775	11	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5547	0.841	10	120.6672	0.775	11	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.5285	0.418	2	120.8082	0.148	10	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7717	0.433	4	120.8082	0.148	10	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1360	0.031	2	120.8082	0.148	10	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8330	0.464	2	120.8082	0.148	10	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8735	1.258	4	120.8615	0.949	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8375	0.012	2	120.8615	0.949	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1388	1.558	4	120.1388	2.426	4	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8145	2.502	2	120.8145	6.262	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6215	3.016	2	120.6215	9.095	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1580	1.810	2	121.1570	2.446	10	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9350	2.612	2	121.1570	2.446	10	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4050	2.056	2	121.1570	2.446	10	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3465	1.275	2	121.1570	2.446	10	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9405	2.382	2	121.1570	2.446	10	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7157	0.751	4	120.7157	0.564	4	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6530	1.952	2	120.6530	3.809	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9705	0.612	2	120.9705	0.374	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.8335	0.637	2	120.7233	0.518	4	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6130	1.048	2	120.7233	0.518	4	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7525	0.714	4	120.7590	1.153	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7720	2.058	2	120.7590	1.153	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7385	1.020	2	120.7385	1.041	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4700	0.130	2	120.7275	3.952	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4930	1.858	2	120.7275	3.952	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2195	3.945	2	120.7275	3.952	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]N)(H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.7175	0.052	2	121.7175	0.003	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.4425	1.289	2	120.4425	1.662	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	120.7700	0.000	1	120.7700	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	119.8470	0.000	1	119.8470	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Cl<1>,1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	120.2090	0.000	1	120.2090	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6560	0.000	1	121.0107	0.734	15	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.4270	0.000	1	121.0107	0.734	15	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9825	0.285	4	121.0107	0.734	15	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0683	0.291	4	121.0107	0.734	15	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Cl<1>,1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3230	0.000	1	121.0107	0.734	15	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.2185	2.881	2	121.0107	0.734	15	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5575	0.752	2	121.0107	0.734	15	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2455	1.592	2	120.8322	1.304	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6255	1.076	4	120.8322	1.304	6	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(C[5]N[5]Br)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(C[5]N[5]Br)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3405	1.982	2	121.3405	3.928	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|F<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8600	1.486	2	120.7523	1.139	3	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|F<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5370	0.000	1	120.7523	1.139	3	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|F<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	119.9880	0.000	1	119.9880	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.2160	1.776	2	120.2160	3.155	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8230	0.140	2	120.8230	0.020	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]S[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]CC)(C[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7475	1.892	2	120.7475	3.578	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.8700	0.827	2	121.1466	1.403	14	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	121.2410	0.400	2	121.1466	1.403	14	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4905	1.134	8	121.1466	1.403	14	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9530	2.024	2	121.1466	1.403	14	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	120.7535	1.624	2	120.7535	2.638	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|S<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1650	1.998	2	121.1650	3.993	2	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.7510	0.000	1	116.7510	0.000	1	120.7930	1.265	232	120.7682	1.385	254	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|Cl<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	121.0180	0.000	1	121.0180	0.000	1	120.6570	1.773	5	120.6570	1.773	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	118.6000	0.000	1	118.6000	0.000	1	120.6570	1.773	5	120.6570	1.773	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	121.0690	0.000	1	121.0690	0.000	1	120.6570	1.773	5	120.6570	1.773	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.2990	1.318	2	121.2990	1.737	2	120.6570	1.773	5	120.6570	1.773	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	122.3830	0.351	2	122.3830	0.123	2	122.3830	0.123	2	122.6598	0.150	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]N){1|C<4>,2|C<3>,3|H<1>}	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	122.6598	0.150	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,2|C<3>,3|H<1>}	122.6370	0.000	1	122.6370	0.000	1	122.6370	0.000	1	122.6598	0.150	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	123.2270	0.000	1	123.2270	0.000	1	123.2270	0.000	1	122.6598	0.150	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.2420	0.000	1	119.2420	0.000	1	120.4927	4.974	7	120.4927	4.974	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.8565	1.662	2	120.8565	2.764	2	120.4927	4.974	7	120.4927	4.974	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	120.6235	2.897	4	120.6235	8.395	4	120.4927	4.974	7	120.4927	4.974	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2005	2.491	2	121.2005	6.206	2	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2190	0.882	2	121.2190	0.779	2	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0295	2.013	2	121.0295	4.053	2	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3645	0.517	2	120.3645	0.267	2	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5040	2.886	2	120.5040	8.331	2	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4850	1.114	2	120.4850	1.242	2	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2970	1.700	2	120.2970	2.890	2	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6745	0.810	2	120.6745	0.656	2	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<1>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8175	0.880	2	120.8175	0.775	2	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6690	0.099	2	120.6690	0.010	2	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3520	2.968	2	120.3520	8.812	2	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5795	1.617	2	120.5795	2.615	2	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9340	0.000	1	120.9340	0.000	1	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0000	0.919	2	120.7898	0.498	5	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8530	0.000	1	120.7898	0.498	5	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5480	0.969	2	120.7898	0.498	5	120.7089	1.414	30	120.7089	1.414	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.4815	3.927	2	121.4815	15.418	2	121.4815	15.418	2	120.8774	4.328	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(CCO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8035	4.399	2	120.8035	19.350	2	120.8321	4.272	26	120.8774	4.328	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]C[5]O)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]C[5]O)(CCH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0775	0.489	2	121.0775	0.239	2	120.8321	4.272	26	120.8774	4.328	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CCH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8986	1.827	8	120.8986	3.338	8	120.8321	4.272	26	120.8774	4.328	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CNO){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0105	4.639	2	121.0105	21.523	2	120.8321	4.272	26	120.8774	4.328	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CC[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CC[5]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7977	2.272	6	120.7977	5.161	6	120.8321	4.272	26	120.8774	4.328	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5740	3.120	2	120.5740	9.733	2	120.8321	4.272	26	120.8774	4.328	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7195	0.371	2	120.7195	0.138	2	120.8321	4.272	26	120.8774	4.328	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]O)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]O)(CCH){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6450	2.486	2	120.6450	6.181	2	120.8321	4.272	26	120.8774	4.328	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)(NCH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8615	1.589	2	120.8615	2.525	2	120.8615	2.525	2	120.8774	4.328	30	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2C){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){2|C<4>,2|H<1>,4|C<3>}	123.2560	0.000	1	123.2560	0.000	1	123.2560	0.000	1	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2C){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	118.0590	0.000	1	118.0590	0.000	1	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]C)(CH3){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.2410	0.000	1	121.2410	0.000	1	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3475	1.008	2	121.3475	1.015	2	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CClHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CClHH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0773	1.250	4	121.0773	1.563	4	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CBrCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CBrCH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9385	2.214	2	120.9385	4.902	2	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CCHH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5230	0.102	2	121.5230	0.010	2	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4360	2.242	2	121.4360	5.024	2	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CHHS)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CHHS){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9545	2.068	2	120.9545	4.278	2	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8265	4.084	2	120.8265	16.675	2	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9880	1.738	2	120.9025	2.419	14	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8883	1.607	12	120.9025	2.419	14	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2155	2.801	2	121.2155	7.845	2	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(CH3){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1705	3.862	2	121.1705	14.911	2	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]H)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]H)(CF3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0560	0.386	2	121.0560	0.149	2	120.9784	2.735	38	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>}	120.8975	0.648	2	120.8975	0.420	2	120.8975	0.420	2	121.0300	2.668	41	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]C)(CH3){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	122.1880	0.000	1	122.1880	0.000	1	122.1880	0.000	1	122.1880	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:2:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl){2|C<3>,2|C<4>,2|H<1>}	121.3560	0.000	1	121.3560	0.000	1	121.3560	0.000	1	118.0757	8.087	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:2:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:O[6a]-2:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O){2|C<3>,2|C<4>,2|H<1>}	116.4355	0.183	2	116.4355	0.034	2	116.4355	0.034	2	118.0757	8.087	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|B<3>,1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	121.3630	0.000	1	121.3630	0.000	1	120.8527	0.199	3	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,6|C<4>}	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.5410	0.000	1	120.5975	0.006	2	120.8527	0.199	3	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<4>}	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.6540	0.000	1	120.5975	0.006	2	120.8527	0.199	3	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){5|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.8320	0.000	1	122.8320	0.000	1	122.8320	0.000	1	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.1760	0.000	1	116.1760	0.000	1	116.6765	0.501	2	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.1770	0.000	1	117.1770	0.000	1	116.6765	0.501	2	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|C<3>,6|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.0908	1.263	5	121.0908	1.595	5	121.0908	1.595	5	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	121.1820	0.017	2	121.1820	0.000	2	121.1820	0.000	2	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	119.2940	0.000	1	119.2940	0.000	1	122.4878	6.204	5	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	120.3700	0.000	1	120.3700	0.000	1	122.4878	6.204	5	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	123.6680	0.000	1	123.6680	0.000	1	122.4878	6.204	5	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.5535	0.453	2	124.5535	0.205	2	122.4878	6.204	5	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	123.7420	0.040	2	123.7420	0.002	2	123.1957	0.896	3	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	122.1030	0.000	1	122.1030	0.000	1	123.1957	0.896	3	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	121.2600	0.000	1	121.2600	0.000	1	121.2600	0.000	1	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,3|H<1>}	119.4730	0.000	1	119.4730	0.000	1	119.4730	0.000	1	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.4020	0.000	1	123.4020	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.5310	0.000	1	122.5310	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6934	1.515	5	119.6934	2.295	5	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2795	0.347	2	121.2795	0.121	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	121.9580	0.000	1	121.9580	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	120.5640	0.000	1	120.5640	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.8460	0.000	1	122.8460	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.1725	0.179	2	120.1725	0.032	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9060	0.000	1	120.9060	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.4320	0.000	1	119.4320	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	121.1700	0.000	1	121.1700	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.9160	0.000	1	119.9160	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	118.4140	0.000	1	118.4140	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1890	0.000	1	121.1890	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	124.3740	0.000	1	124.3740	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){4|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.0870	2.380	2	120.0870	5.665	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.2930	0.000	1	120.2930	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.3371	0.867	7	120.3371	0.752	7	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.1400	0.000	1	122.1400	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6770	0.000	1	119.6770	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,2|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.3863	0.572	3	122.3863	0.328	3	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|H<1>,3|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.7933	0.306	3	123.7933	0.094	3	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	123.2225	0.859	2	123.6423	0.898	3	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	124.4820	0.000	1	123.6423	0.898	3	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6953	1.687	4	120.7498	2.966	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8590	2.287	2	120.7498	2.966	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7015	2.013	6	120.7498	2.966	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.4657	2.112	4	120.7498	2.966	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1063	1.640	4	120.7498	2.966	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CS)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|S<4>,2|C<4>,2|H<1>,3|C<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CS)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7320	5.098	2	120.7320	25.992	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.0580	2.133	4	121.0173	3.954	8	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9765	2.161	4	121.0173	3.954	8	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1550	2.046	2	121.0600	4.427	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9650	3.009	2	121.0600	4.427	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7220	2.662	2	120.7220	7.084	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1615	2.935	2	121.1266	6.024	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1625	4.559	2	121.1266	6.024	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.4640	0.000	1	121.1266	6.024	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.4150	0.000	1	121.1266	6.024	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0980	2.014	2	121.1266	6.024	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7690	4.029	2	121.1266	6.024	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9120	3.172	2	121.1266	6.024	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.5175	3.829	2	121.1266	6.024	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9525	2.688	2	121.1266	6.024	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	121.7200	0.000	1	121.7200	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	116.9300	0.000	1	116.9300	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1025	3.398	2	121.0395	5.431	6	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0080	2.280	4	121.0395	5.431	6	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,2|H<1>,3|C<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7947	1.980	4	120.9044	6.560	8	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,3|C<3>,4|C<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.0140	3.370	4	120.9044	6.560	8	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7705	0.121	2	121.0675	1.339	26	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3500	0.250	2	121.0675	1.339	26	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4770	1.505	2	121.0675	1.339	26	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7200	3.486	2	121.0675	1.339	26	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0998	1.666	4	121.0675	1.339	26	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9810	0.802	2	121.0675	1.339	26	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9045	1.216	2	121.0675	1.339	26	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9925	0.921	2	121.0675	1.339	26	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1206	0.976	8	121.0675	1.339	26	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0315	1.430	2	121.0820	2.954	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1325	2.609	2	121.0820	2.954	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9835	2.641	2	120.9835	6.975	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3510	3.079	2	121.3510	9.479	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3555	1.872	2	121.0215	2.418	22	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9920	1.522	6	121.0215	2.418	22	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9143	1.268	6	121.0215	2.418	22	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0135	2.353	2	121.0215	2.418	22	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1935	1.554	2	121.0215	2.418	22	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.8245	0.023	2	121.0215	2.418	22	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1300	4.387	2	121.0215	2.418	22	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0590	0.010	2	121.1999	2.364	13	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.2070	0.000	1	121.1999	2.364	13	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1985	0.600	2	121.1999	2.364	13	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9510	4.337	2	121.1999	2.364	13	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4690	0.591	2	121.1999	2.364	13	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9995	0.993	2	121.1999	2.364	13	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5190	1.587	2	121.1999	2.364	13	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.2720	0.000	1	118.2720	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.5495	2.132	4	120.5495	4.546	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9885	3.970	2	120.9893	4.798	6	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9898	1.656	4	120.9893	4.798	6	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7823	2.273	4	120.7823	5.166	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6490	3.103	2	121.6490	9.627	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|F<1>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7385	0.754	2	120.7385	0.569	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|F<1>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.8790	3.915	2	120.8790	15.324	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0580	0.828	6	121.1202	1.883	10	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2135	2.118	4	121.1202	1.883	10	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8238	0.550	8	120.8238	0.303	8	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7375	3.498	2	120.9019	3.811	8	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0130	2.544	2	120.9019	3.811	8	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0495	2.153	2	120.9019	3.811	8	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8075	1.787	2	120.9019	3.811	8	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|N<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7755	0.320	2	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8850	1.772	2	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3280	1.708	2	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0765	1.013	6	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0850	1.616	2	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0525	3.132	2	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2016	2.149	16	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8235	3.853	2	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2640	1.237	2	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9665	1.312	2	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9640	1.788	2	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0820	0.974	2	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1195	2.484	2	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5830	3.100	2	121.0770	2.941	46	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9070	4.500	2	120.9703	6.560	6	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1270	3.391	2	120.9703	6.560	6	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.8770	0.987	2	120.9703	6.560	6	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8720	1.228	2	120.8337	2.090	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7955	2.181	2	120.8337	2.090	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9890	2.004	2	120.9890	4.016	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.8000	0.839	2	120.8227	14.009	12	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9965	0.708	2	120.8227	14.009	12	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7140	6.879	4	120.8227	14.009	12	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.9305	1.657	2	120.8227	14.009	12	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7810	2.841	2	120.8227	14.009	12	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0748	2.819	10	120.0748	7.945	10	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4760	4.021	2	121.4760	16.165	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2380	1.820	2	121.2380	3.313	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,1|P<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H){1|Pd<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.9660	0.000	1	122.9660	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,1|P<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H){1|Pd<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	120.5710	0.000	1	120.5710	0.000	1	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|Cl<1>,1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	120.6100	1.698	2	120.6100	2.885	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6825	1.340	4	120.6825	1.795	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|S<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2005	0.829	2	121.0353	1.112	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|S<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8700	1.594	2	121.0353	1.112	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8560	0.583	2	121.0752	1.820	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1410	1.769	4	121.0752	1.820	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.5070	1.213	2	121.0752	1.820	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8315	3.374	2	121.0752	1.820	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0350	1.872	2	121.0752	1.820	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0215	1.290	4	121.0752	1.820	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1840	1.003	2	121.0752	1.820	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0135	1.356	2	121.0752	1.820	20	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8975	1.093	4	120.8975	1.194	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2325	4.164	2	120.9497	6.449	6	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4545	2.317	2	120.9497	6.449	6	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1620	2.966	2	120.9497	6.449	6	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4835	0.968	2	120.9992	1.366	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5375	0.712	2	120.9992	1.366	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9480	1.155	2	120.9992	1.366	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0980	1.980	2	120.9992	1.366	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2316	1.329	8	120.9992	1.366	16	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|N<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3095	2.951	2	121.3095	8.707	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8471	1.422	14	120.8471	2.022	14	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|S<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5055	0.631	2	120.5055	0.399	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.3313	1.084	4	121.3313	1.176	4	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	117.2390	0.000	1	119.6430	11.558	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.0470	0.000	1	119.6430	11.558	2	120.9789	3.336	392	120.9953	3.399	415	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	120.4700	0.000	1	120.4700	0.000	1	120.4158	1.902	13	120.4158	1.902	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	122.5040	0.000	1	122.5040	0.000	1	120.4158	1.902	13	120.4158	1.902	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,2|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	121.0500	0.507	3	121.0500	0.257	3	120.4158	1.902	13	120.4158	1.902	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.3520	0.000	1	119.3520	0.000	1	120.4158	1.902	13	120.4158	1.902	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.6100	0.549	2	119.6100	0.301	2	120.4158	1.902	13	120.4158	1.902	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|H<1>,3|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.3050	0.680	3	119.3050	0.463	3	120.4158	1.902	13	120.4158	1.902	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3970	2.731	2	121.3970	7.458	2	120.4158	1.902	13	120.4158	1.902	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	124.0010	0.000	1	124.0010	0.000	1	124.0010	0.000	1	121.7251	3.818	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	117.3700	0.000	1	117.3700	0.000	1	117.3700	0.000	1	121.7251	3.818	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){4|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,3|H<1>}	121.4595	2.727	2	121.4595	7.438	2	121.7759	1.353	10	121.7251	3.818	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(NC[5]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(NC[5]Ni){1|C<3>,2|C<4>,3|H<1>}	122.0360	0.000	1	122.1075	0.010	2	121.7759	1.353	10	121.7251	3.818	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(NC[5]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(NC[5]Ni){1|C<3>,2|C<4>,3|H<1>}	122.1790	0.000	1	122.1075	0.010	2	121.7759	1.353	10	121.7251	3.818	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])2(NCoC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])2(NCoC){1|C<3>,4|C<4>,4|H<1>}	122.1135	0.613	4	122.1135	0.376	4	121.7759	1.353	10	121.7251	3.818	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]C[5])2(NFeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])2(NFeC){1|C<3>,4|C<4>,4|H<1>}	121.0855	1.331	2	121.0855	1.773	2	121.7759	1.353	10	121.7251	3.818	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	124.9650	0.000	1	122.5110	12.044	2	122.5110	12.044	2	121.7251	3.818	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	120.0570	0.000	1	122.5110	12.044	2	122.5110	12.044	2	121.7251	3.818	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	121.9050	0.000	1	121.9050	0.000	1	121.0966	3.289	5	121.0966	3.289	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>,3|C<4>}	120.3680	0.000	1	120.3680	0.000	1	121.0966	3.289	5	121.0966	3.289	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,3|H<1>}	121.6780	0.000	1	121.6780	0.000	1	121.0966	3.289	5	121.0966	3.289	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,4|C<4>}	120.7660	3.379	2	120.7660	11.415	2	121.0966	3.289	5	121.0966	3.289	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4380	1.599	2	121.4380	2.558	2	120.8269	0.512	18	120.8269	0.512	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8167	0.847	4	120.8750	0.433	8	120.8269	0.512	18	120.8269	0.512	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9333	0.533	4	120.8750	0.433	8	120.8269	0.512	18	120.8269	0.512	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7715	0.009	2	120.7715	0.000	2	120.8269	0.512	18	120.8269	0.512	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6165	0.218	2	120.6165	0.048	2	120.8269	0.512	18	120.8269	0.512	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2920	0.699	2	120.2920	0.488	2	120.8269	0.512	18	120.8269	0.512	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8240	1.072	2	120.8240	1.149	2	120.8269	0.512	18	120.8269	0.512	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2C){2|C<4>,3|C<3>,6|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.0220	0.000	1	119.0220	0.000	1	119.0220	0.000	1	120.9418	2.122	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.6590	2.828	2	121.6590	8.000	2	121.6590	8.000	2	120.9418	2.122	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|C<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CCC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.2830	1.229	2	121.2830	1.510	2	120.9765	1.632	14	120.9418	2.122	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<2>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(CCH){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8220	1.004	2	120.8220	1.008	2	120.9765	1.632	14	120.9418	2.122	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1920	2.766	2	120.9437	2.889	4	120.9765	1.632	14	120.9418	2.122	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6955	0.878	2	120.9437	2.889	4	120.9765	1.632	14	120.9418	2.122	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|Cl<1>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	119.0200	0.000	1	119.0200	0.000	1	120.9765	1.632	14	120.9418	2.122	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8648	0.560	4	121.3332	1.332	5	120.9765	1.632	14	120.9418	2.122	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|Cl<1>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	123.2070	0.000	1	121.3332	1.332	5	120.9765	1.632	14	120.9418	2.122	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HS)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|O<2>,1|S<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HS)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	119.5590	0.000	1	119.5590	0.000	1	121.0912	3.475	13	121.0780	2.865	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,4|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CH3){2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	121.7080	2.210	2	121.7080	4.886	2	121.0912	3.475	13	121.0780	2.865	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,3|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(CCHH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.6090	2.639	2	121.6090	6.964	2	121.0912	3.475	13	121.0780	2.865	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(CF3){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.6005	1.108	2	120.6005	1.228	2	121.0912	3.475	13	121.0780	2.865	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3995	0.985	2	121.3995	0.970	2	121.0912	3.475	13	121.0780	2.865	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|C<3>,2|O<2>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9982	2.787	4	120.9982	7.768	4	121.0912	3.475	13	121.0780	2.865	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2P)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(PO3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2P){1|C<4>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(PO3){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	121.0350	1.172	4	121.0350	1.374	4	121.0350	1.374	4	121.0780	2.865	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HS)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|O<2>,1|S<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HS)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>,3|C<4>}	122.7530	0.000	1	122.7530	0.000	1	122.7530	0.000	1	122.7530	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2F)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2F){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	120.1480	0.734	2	120.1480	0.539	2	120.1480	0.539	2	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[4,5]HS)(C[5]C[4,5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[4,5]HS)(C[5]C[4,5]C)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.6725	0.424	2	120.6725	0.179	2	120.8364	0.611	16	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2395	0.900	2	120.9750	0.409	4	120.8364	0.611	16	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7105	0.371	2	120.9750	0.409	4	120.8364	0.611	16	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8845	2.003	2	120.8593	1.350	4	120.8364	0.611	16	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8340	0.187	2	120.8593	1.350	4	120.8364	0.611	16	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8345	1.739	2	120.8345	3.023	2	120.8364	0.611	16	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7300	0.031	2	120.7300	0.001	2	120.8364	0.611	16	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7855	0.723	2	120.7855	0.523	2	120.8364	0.611	16	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	120.2100	0.000	1	120.2100	0.000	1	120.2100	0.000	1	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|Br<1>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	116.7420	0.000	1	116.7420	0.000	1	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	120.9490	0.000	1	120.9490	0.000	1	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	118.9290	0.000	1	118.9290	0.000	1	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	117.5310	0.000	2	117.5310	0.000	2	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1550	0.000	1	123.1550	0.000	1	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7385	1.388	2	120.7385	1.927	2	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.4790	0.247	2	120.4790	0.061	2	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7595	0.062	2	120.8235	0.105	4	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8875	0.542	2	120.8235	0.105	4	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8160	1.711	4	120.8160	2.927	4	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6925	0.971	2	120.6925	0.943	2	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8882	0.871	4	120.8882	0.759	4	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7690	2.191	2	120.7767	4.013	4	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7845	2.691	2	120.7767	4.013	4	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7060	0.177	2	120.7060	0.031	2	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8780	2.270	2	121.4410	2.855	4	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0040	1.628	2	121.4410	2.855	4	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5840	0.402	6	120.5898	0.166	8	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6070	0.595	2	120.5898	0.166	8	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3945	2.146	2	121.3945	4.606	2	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7995	2.640	2	120.7995	6.968	2	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8095	1.708	2	120.8095	2.916	2	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.3330	0.874	2	121.3330	0.764	2	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5885	1.650	2	120.5885	2.721	2	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.1640	1.708	2	120.1640	2.919	2	120.6286	2.015	54	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H)	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H){1|Cu<5>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|N<3>,1|N<4>,3|C<3>,3|H<1>}	120.2460	0.000	1	120.2460	0.000	1	120.2460	0.000	1	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H)	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H){1|Cu<5>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|N<3>,1|N<4>,2|C<3>,2|H<1>}	121.8750	0.000	1	121.8750	0.000	1	120.0578	5.491	6	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2H)	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2H){1|Cu<5>,1|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|H<1>,2|N<3>}	118.7160	0.000	1	118.7160	0.000	1	120.0578	5.491	6	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]MgH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Mg<6>,1|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]MgH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|N<4>,1|O<3>,2|H<1>}	122.1620	0.000	1	122.1620	0.000	1	120.0578	5.491	6	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Mo<6>,1|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|N<4>,1|O<2>,2|H<1>}	116.4160	0.000	1	116.4160	0.000	1	120.0578	5.491	6	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Cu<5>,1|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|N<4>,2|C<3>,2|H<1>}	120.5890	2.024	2	120.5890	4.096	2	120.0578	5.491	6	120.6054	1.865	80	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	122.5690	0.000	1	122.5690	0.000	1	122.5690	0.000	1	122.0970	9.427	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	122.0970	9.427	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Mo<6>,1|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMo){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	124.9040	0.000	1	124.9040	0.000	1	124.9040	0.000	1	122.0970	9.427	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2H)	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCuC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2H){1|Cu<5>,1|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCuC){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	122.8130	0.000	1	122.8130	0.000	1	122.8130	0.000	1	120.1085	14.629	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]MgH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMg2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Mg<6>,1|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]MgH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMg2){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	117.4040	0.000	1	117.4040	0.000	1	117.4040	0.000	1	120.1085	14.629	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>,3|H<1>}	125.5540	0.000	2	125.5540	0.000	2	125.5540	0.000	2	125.5540	0.000	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|Br<1>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	123.3430	0.000	1	123.3430	0.000	1	123.3430	0.000	1	123.3430	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.7390	0.564	2	121.7390	0.318	2	121.1289	0.485	8	121.0033	1.734	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0175	1.329	2	121.0175	1.765	2	121.1289	0.485	8	121.0033	1.734	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.0340	0.014	2	121.0340	0.000	2	121.1289	0.485	8	121.0033	1.734	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7250	0.447	2	120.7250	0.200	2	121.1289	0.485	8	121.0033	1.734	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5010	3.403	2	120.5010	11.578	2	120.5010	11.578	2	121.0033	1.734	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7855	0.095	2	120.7855	0.009	2	120.7855	0.009	2	120.7855	0.009	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]3)	C[5](C[5]C[6a]C[5]2)(C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]3){1|N<2>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5]2)(C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,2|O<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.4663	0.422	10	121.4663	0.178	10	121.4663	0.178	10	121.1041	1.397	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|N<3>,3|C<3>}	121.0450	0.000	1	121.0450	0.000	1	120.8830	1.201	3	121.1041	1.397	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CNO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8020	1.537	2	120.8020	2.363	2	120.8830	1.201	3	121.1041	1.397	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9325	1.128	2	120.9325	1.272	2	120.7322	1.798	6	121.1041	1.397	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	C[5](C[5]C[6]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(NHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|N<2>,1|N<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(NHN){1|Ni<6>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6320	1.591	4	120.6320	2.532	4	120.7322	1.798	6	121.1041	1.397	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)(COO){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7640	3.719	2	120.7640	13.834	2	120.9223	5.108	4	121.1041	1.397	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0805	1.179	2	121.0805	1.389	2	120.9223	5.108	4	121.1041	1.397	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.0820	0.000	1	124.0820	0.000	1	124.0820	0.000	1	124.0820	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6525	1.159	2	121.6525	1.343	2	120.8170	2.766	3	120.9246	1.773	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	119.1460	0.000	1	119.1460	0.000	1	120.8170	2.766	3	120.9246	1.773	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	121.0053	1.297	4	121.0053	1.683	4	121.0053	1.683	4	120.9246	1.773	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SiC3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SiC3){2|C<3>,2|C<4>,2|H<1>}	121.8600	0.000	1	121.8600	0.000	1	121.8600	0.000	1	121.8600	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:2:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	121.4780	0.000	1	121.4780	0.000	1	121.4780	0.000	1	122.4085	1.732	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:2:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	123.3390	0.000	1	123.3390	0.000	1	123.3390	0.000	1	122.4085	1.732	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H){5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.8150	0.000	1	119.8150	0.000	1	119.8150	0.000	1	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	119.8780	0.000	1	119.8780	0.000	1	121.7545	7.043	2	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|Si<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	123.6310	0.000	1	123.6310	0.000	1	121.7545	7.043	2	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.5280	0.000	1	117.5280	0.000	1	117.5280	0.000	1	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	121.6300	0.000	1	121.8123	0.086	3	121.8123	0.086	3	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.9035	0.350	2	121.8123	0.086	3	121.8123	0.086	3	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8530	0.000	1	120.8530	0.000	1	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	121.3590	0.000	1	121.3590	0.000	1	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|Si<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	118.3820	0.000	1	118.3820	0.000	1	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]NiH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H){1|Ni<8>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5]NiH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3230	0.000	1	121.3230	0.000	1	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7340	0.068	2	120.7340	0.005	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.7760	0.000	1	121.7120	0.004	3	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	121.6800	0.049	2	121.7120	0.004	3	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.8175	2.488	2	117.8175	6.192	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2640	0.092	2	121.2640	0.008	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6813	1.312	4	120.6813	1.722	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.3935	0.357	2	123.3935	0.128	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5000	0.411	4	121.3986	0.178	5	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9930	0.000	1	121.3986	0.178	5	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.1840	0.000	1	122.1840	0.000	1	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.2280	0.000	1	119.2280	0.000	1	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	119.8560	0.000	1	119.8560	0.000	1	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<4>,3|H<1>}	121.9730	0.000	1	121.9730	0.000	1	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9417	4.969	4	120.9417	24.692	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7530	1.584	4	120.7530	2.510	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	118.4740	0.000	1	118.4740	0.000	1	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.8850	0.000	1	121.0317	4.076	15	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5235	2.125	2	121.0317	4.076	15	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.9375	3.195	2	121.0317	4.076	15	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8465	2.409	6	121.0317	4.076	15	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2160	1.604	2	121.0317	4.076	15	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0785	2.549	2	121.0317	4.076	15	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2705	1.958	2	121.0870	1.109	7	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4550	0.000	1	121.0870	1.109	7	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9032	0.910	4	121.0870	1.109	7	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	119.4510	0.000	1	119.4510	0.000	1	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1750	0.428	6	121.1932	0.473	18	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2875	0.743	2	121.1932	0.473	18	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1853	0.853	10	121.1932	0.473	18	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.8900	2.322	4	120.9930	3.518	6	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1990	1.131	2	120.9930	3.518	6	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8337	0.490	4	120.8337	0.240	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8795	3.150	2	120.8795	9.924	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3110	1.358	2	121.3110	1.843	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.5580	1.229	2	120.5580	1.510	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1130	2.246	2	121.1093	1.681	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1055	0.008	2	121.1093	1.681	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.5607	1.175	4	121.5827	0.968	6	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6265	0.832	2	121.5827	0.968	6	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8215	2.949	4	120.8215	8.694	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6610	1.092	4	120.6610	1.192	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.0665	0.262	2	121.0665	0.069	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4225	2.685	2	120.4225	7.209	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.5475	3.771	2	121.5475	14.220	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.9395	1.937	2	120.9395	3.751	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9235	1.679	2	120.9235	2.820	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3512	1.533	6	121.1252	2.627	10	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7862	1.926	4	121.1252	2.627	10	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0035	2.391	2	121.0979	4.378	10	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1153	2.058	4	121.0979	4.378	10	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1277	2.643	4	121.0979	4.378	10	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1200	0.803	2	121.1499	1.043	19	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0573	0.306	6	121.1499	1.043	19	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0250	1.112	2	121.1499	1.043	19	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9505	0.672	4	121.1499	1.043	19	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7683	1.614	3	121.1499	1.043	19	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0535	2.906	2	121.1499	1.043	19	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8995	2.867	2	120.8995	8.222	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8250	1.819	2	120.8893	2.668	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9535	2.163	2	120.8893	2.668	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1970	0.455	2	121.3143	2.223	16	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	122.0875	0.988	2	121.3143	2.223	16	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8950	2.087	2	121.3143	2.223	16	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1880	3.096	2	121.3143	2.223	16	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7170	0.126	4	121.3143	2.223	16	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8563	2.242	4	121.3143	2.223	16	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1185	2.747	2	121.1185	7.547	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6925	2.414	4	120.6925	5.827	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1655	3.221	2	121.1655	10.374	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8738	2.124	4	120.8738	4.511	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9290	2.523	4	120.9290	6.368	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6600	1.031	2	120.6600	1.063	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2752	1.899	4	121.2752	3.607	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.2350	3.437	2	121.2350	11.810	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7275	2.497	2	120.7275	6.234	2	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0855	1.510	2	120.9020	3.182	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7185	2.671	2	120.9020	3.182	4	121.0287	2.690	213	121.0246	2.713	220	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	124.5795	2.623	2	124.5795	6.878	2	121.6596	3.478	17	121.7456	3.407	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	120.3090	0.156	2	120.3090	0.024	2	121.6596	3.478	17	121.7456	3.407	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	121.9265	0.849	4	121.9265	0.721	4	121.6596	3.478	17	121.7456	3.407	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	118.8055	0.066	2	118.8055	0.004	2	121.6596	3.478	17	121.7456	3.407	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	122.4933	0.412	4	122.2466	0.431	5	121.6596	3.478	17	121.7456	3.407	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	121.2600	0.000	1	122.2466	0.431	5	121.6596	3.478	17	121.7456	3.407	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	119.3890	0.000	1	119.3890	0.000	1	121.6596	3.478	17	121.7456	3.407	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	122.4970	0.000	1	122.4970	0.000	1	121.6596	3.478	17	121.7456	3.407	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC){1|C<3>,2|C<4>,3|H<1>}	123.2080	0.000	1	123.2080	0.000	1	123.2080	0.000	1	121.7456	3.407	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]NiH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H){1|Ni<8>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5]NiH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	120.6340	0.000	1	120.6340	0.000	1	120.6340	0.000	1	120.6340	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	120.6610	0.505	2	120.6610	0.255	2	120.6610	0.255	2	120.6610	0.255	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.9640	2.373	2	120.5821	1.686	20	120.5821	1.686	20	120.7960	1.235	51	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.6192	1.182	16	120.5821	1.686	20	120.5821	1.686	20	120.7960	1.235	51	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	119.9025	2.051	2	120.5821	1.686	20	120.5821	1.686	20	120.7960	1.235	51	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5897	1.001	4	120.5897	1.002	4	120.9340	0.940	31	120.7960	1.235	51	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0798	1.712	4	121.0798	2.931	4	120.9340	0.940	31	120.7960	1.235	51	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9991	1.003	15	120.9991	1.006	15	120.9340	0.940	31	120.7960	1.235	51	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8000	0.461	2	120.8565	0.123	4	120.9340	0.940	31	120.7960	1.235	51	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9130	0.378	2	120.8565	0.123	4	120.9340	0.940	31	120.7960	1.235	51	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8430	0.929	2	120.9655	0.437	4	120.9340	0.940	31	120.7960	1.235	51	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0880	0.624	2	120.9655	0.437	4	120.9340	0.940	31	120.7960	1.235	51	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C){2|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){2|C<3>,2|C<4>,2|H<1>}	119.9265	0.148	2	119.9265	0.022	2	119.9440	0.012	3	121.0702	3.130	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C){2|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){2|C<3>,2|C<4>,2|H<1>}	119.9790	0.000	1	119.9790	0.000	1	119.9440	0.012	3	121.0702	3.130	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C){2|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	123.7460	0.453	2	123.7460	0.205	2	121.2509	3.723	18	121.0702	3.130	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C){2|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	123.5370	0.000	1	123.5370	0.000	1	121.2509	3.723	18	121.0702	3.130	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.3330	0.000	1	121.3330	0.000	1	121.2509	3.723	18	121.0702	3.130	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.3762	1.558	4	120.3762	2.429	4	121.2509	3.723	18	121.0702	3.130	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9355	2.935	2	120.9355	8.615	2	121.2509	3.723	18	121.0702	3.130	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9180	4.600	2	120.9180	21.164	2	121.2509	3.723	18	121.0702	3.130	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5690	1.727	2	120.5690	2.982	2	121.2509	3.723	18	121.0702	3.130	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9513	0.443	4	120.9513	0.196	4	121.2509	3.723	18	121.0702	3.130	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]3)	C[5](C[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]3){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1330	1.068	2	121.1330	1.140	2	121.1330	1.140	2	121.0702	3.130	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){2|C<3>,2|C<4>,2|H<1>}	123.7610	0.000	1	123.7610	0.000	1	123.7610	0.000	1	123.7610	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.5440	0.000	1	122.5440	0.000	1	121.5161	2.051	15	121.4455	1.665	19	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.7275	0.784	2	121.7275	0.615	2	121.5161	2.051	15	121.4455	1.665	19	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CCHH){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3817	2.585	4	121.3817	6.684	4	121.5161	2.051	15	121.4455	1.665	19	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1775	0.897	2	121.1775	0.805	2	121.5161	2.051	15	121.4455	1.665	19	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.4768	1.075	6	121.4768	1.156	6	121.5161	2.051	15	121.4455	1.665	19	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]3)	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]3){1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1808	0.549	4	121.1808	0.301	4	121.1808	0.301	4	121.4455	1.665	19	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:3:4:4:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2C){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	121.8730	0.000	1	121.8730	0.000	1	121.8730	0.000	1	121.8730	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.7210	0.000	1	120.7210	0.000	1	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.2518	1.435	4	122.2518	2.059	4	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7255	1.603	2	120.7392	1.317	4	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7530	1.175	2	120.7392	1.317	4	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.3715	1.733	4	121.3715	3.004	4	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8505	2.164	2	120.8505	4.685	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9110	0.471	2	120.9878	0.490	6	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8480	0.259	2	120.9878	0.490	6	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2045	1.419	2	120.9878	0.490	6	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,6|C<3>}	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.0020	1.608	2	122.0020	2.586	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4820	0.151	2	121.4820	0.023	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3745	3.533	2	121.3745	12.485	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1370	2.520	2	121.1370	6.351	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9590	1.020	2	120.9590	1.040	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.6175	1.128	2	121.6175	1.272	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1350	1.649	2	121.1350	2.719	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1560	2.765	2	121.1332	3.355	6	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1217	1.745	4	121.1332	3.355	6	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3720	1.846	2	120.3720	3.406	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.0335	2.155	2	122.0335	4.642	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8715	1.762	4	120.8715	3.105	4	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1715	0.234	2	121.1715	0.055	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0395	3.994	2	121.0395	15.956	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1880	0.829	2	121.0975	0.606	6	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.0523	0.879	4	121.0975	0.606	6	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,2|O<2>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	120.5685	3.802	2	120.5685	14.456	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1457	0.411	4	121.1457	0.169	4	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1570	1.765	4	121.1570	3.116	4	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3255	1.501	2	121.2400	3.545	4	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1545	2.890	2	121.2400	3.545	4	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1063	1.945	4	121.1187	3.583	6	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1435	2.562	2	121.1187	3.583	6	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|C<6>,5|H<1>}	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0795	0.927	2	121.0795	0.859	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<6>,6|H<1>}	C[5](C[5]C[5x3,6x5,20x6]HH)2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0635	2.382	2	121.0635	5.675	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8145	2.253	4	120.8145	5.075	4	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2403	1.676	8	121.1180	4.116	22	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.0729	2.409	12	121.1180	4.116	22	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8990	1.631	2	121.1180	4.116	22	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3790	1.530	4	121.3790	2.341	4	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.7160	2.201	2	121.7160	4.842	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2090	0.742	2	121.2090	0.551	2	121.1696	2.527	117	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(C[5]C[5]2H){1|Br<1>,1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H){1|C<3>,1|N<3>,3|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	122.5360	0.000	1	122.5360	0.000	1	122.5360	0.000	1	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Br<1>,2|Cu<5>,1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	120.4665	0.281	2	120.4665	0.079	2	119.9587	0.689	25	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Cl<1>,2|Cu<5>,1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	120.7250	0.000	1	120.7250	0.000	1	119.9587	0.689	25	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Cu<5>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	120.1020	0.000	1	120.1020	0.000	1	119.9587	0.689	25	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]MgC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Mg<5>,1|Mg<6>,1|C<3>,6|C<4>}	C[5](N[5]C[5]MgC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	118.4660	0.000	1	118.4660	0.000	1	119.9587	0.689	25	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]MnC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Mn<6>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](N[5]C[5]MnC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	119.4098	0.282	4	119.4098	0.079	4	119.9587	0.689	25	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]MnC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Mn<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](N[5]C[5]MnC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	119.9313	0.593	3	119.9313	0.352	3	119.9587	0.689	25	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Br<1>,2|Ni<6>,1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	119.4970	0.000	1	119.4970	0.000	1	119.9587	0.689	25	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Cl<1>,2|Ni<6>,1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	119.4660	0.000	1	119.4660	0.000	1	119.9587	0.689	25	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Ni<6>,1|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	120.1719	0.997	7	120.1719	0.994	7	119.9587	0.689	25	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Ni<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	120.6290	0.000	1	120.6290	0.000	1	119.9587	0.689	25	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]ZnC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Br<1>,1|Zn<5>,1|Zn<6>,1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[5]ZnC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	119.7500	0.000	1	119.7500	0.000	1	119.9587	0.689	25	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]ZnC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Zn<5>,1|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[5]ZnC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	120.3815	1.834	2	120.3815	3.362	2	119.9587	0.689	25	120.9674	2.410	143	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	120.6185	1.031	4	120.6185	1.063	4	120.5962	0.799	5	120.5962	0.799	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(C[5]C[5]2H){1|Br<1>,1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H){1|C<3>,1|N<3>,3|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OC){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	120.5070	0.000	1	120.5070	0.000	1	120.5962	0.799	5	120.5962	0.799	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4700	0.000	1	121.4700	0.000	1	121.4700	0.000	1	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Br<1>,2|Cu<5>,1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu2){1|C<3>,2|N<4>,3|H<1>}	119.2340	0.284	2	119.5318	0.165	4	119.7970	0.612	25	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Cl<1>,2|Cu<5>,1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu2){1|C<3>,2|N<4>,3|H<1>}	119.6570	0.000	1	119.5318	0.165	4	119.7970	0.612	25	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Cu<5>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu2){1|C<3>,2|N<4>,3|H<1>}	120.0020	0.000	1	119.5318	0.165	4	119.7970	0.612	25	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]MgC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OMg2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Mg<5>,1|Mg<6>,1|C<3>,6|C<4>}	C[5](N[5]C[5]MgC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OMg2){1|C<3>,2|N<4>,3|H<1>}	120.9010	0.000	1	120.9010	0.000	1	119.7970	0.612	25	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]MnC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Mn<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](N[5]C[5]MnC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn2){1|C<3>,2|N<4>,3|H<1>}	119.7030	0.521	3	119.7030	0.272	3	119.7970	0.612	25	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]MnC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OMn2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Mn<6>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](N[5]C[5]MnC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OMn2){1|C<3>,2|N<4>,3|H<1>}	119.7085	0.310	4	119.7085	0.096	4	119.7970	0.612	25	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Br<1>,2|Ni<6>,1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi2){1|C<3>,2|N<4>,3|H<1>}	119.0800	0.000	1	119.7278	0.893	10	119.7970	0.612	25	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Cl<1>,2|Ni<6>,1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi2){1|C<3>,2|N<4>,3|H<1>}	119.8340	0.000	1	119.7278	0.893	10	119.7970	0.612	25	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Ni<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi2){1|C<3>,2|N<4>,3|H<1>}	119.5020	0.000	1	119.7278	0.893	10	119.7970	0.612	25	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Ni<6>,1|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi2){1|C<3>,2|N<4>,3|H<1>}	119.8374	1.116	7	119.7278	0.893	10	119.7970	0.612	25	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]ZnC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Br<1>,1|Zn<5>,1|Zn<6>,1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[5]ZnC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn2){1|C<3>,2|N<4>,3|H<1>}	120.8040	0.000	1	120.2253	1.590	3	119.7970	0.612	25	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	C[5](N[5]C[5]ZnC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Zn<5>,1|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[5]ZnC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn2){1|C<3>,2|N<4>,3|H<1>}	119.9360	1.636	2	120.2253	1.590	3	119.7970	0.612	25	119.8613	0.696	26	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0225	2.230	2	121.0225	4.971	2	121.1401	1.556	20	121.1401	1.556	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.2040	2.797	2	121.2040	7.825	2	121.1401	1.556	20	121.1401	1.556	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1078	1.193	12	121.1078	1.424	12	121.1401	1.556	20	121.1401	1.556	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2640	0.577	4	121.2640	0.333	4	121.1401	1.556	20	121.1401	1.556	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){3|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8178	0.732	4	120.8178	0.536	4	120.7801	2.389	8	120.7801	2.389	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8385	2.019	2	120.8385	4.076	2	120.7801	2.389	8	120.7801	2.389	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:3:4:	4:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6465	3.316	2	120.6465	10.993	2	120.7801	2.389	8	120.7801	2.389	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:2:	3:3:3:1:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H){1|H<1>,8|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.3690	0.000	1	121.3690	0.000	1	122.0150	1.165	4	122.0150	1.165	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:2:	3:3:3:1:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.5435	0.329	2	121.5435	0.108	2	122.0150	1.165	4	122.0150	1.165	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:2:	3:3:3:1:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)2(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)2(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	123.6040	0.000	1	123.6040	0.000	1	122.0150	1.165	4	122.0150	1.165	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:2:	3:3:3:4:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]N[5]2C)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]O)(CH3)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2C)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]O)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	123.1470	0.000	1	123.1470	0.000	1	123.1470	0.000	1	123.1470	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[5]-4:C[5]-4:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F){3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	121.5350	0.000	1	121.5350	0.000	1	121.5350	0.000	1	121.5350	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:2:	3:4:4:2:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.2508	1.322	6	122.2508	1.748	6	122.1755	1.468	8	122.1755	1.468	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:2:	3:4:4:2:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.7860	0.000	1	122.7860	0.000	1	122.1755	1.468	8	122.1755	1.468	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:2:	3:4:4:2:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.1130	0.000	1	121.1130	0.000	1	122.1755	1.468	8	122.1755	1.468	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:2:	4:3:3:1:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]C[5]2H)(N[6a]C[6a])	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2H)(N[6a]C[6a]){2|N<3>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:2:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H){1|C<3>,1|O<2>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	119.4247	3.452	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:2:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5]H)(C[6a]N[6a]Cl)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5]H)(C[6a]N[6a]Cl){1|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	121.4500	0.000	1	121.4500	0.000	1	121.4500	0.000	1	119.4247	3.452	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:2:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H){1|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	119.0250	0.000	1	119.0250	0.000	1	119.0250	0.000	1	119.4247	3.452	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,2|H<1>,2|O<2>}	118.9120	0.000	1	118.9120	0.000	1	118.9120	0.000	1	120.7387	1.665	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.4300	0.000	1	121.2860	1.465	2	121.0635	0.566	4	120.7387	1.665	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	122.1420	0.000	1	121.2860	1.465	2	121.0635	0.566	4	120.7387	1.665	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8410	0.188	2	120.8410	0.035	2	121.0635	0.566	4	120.7387	1.665	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|O<2>,3|H<1>,4|C<3>}	120.2830	0.000	1	120.2830	0.000	1	120.2830	0.000	1	120.7387	1.665	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|O<2>,2|H<1>,3|C<3>}	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	120.7387	1.665	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5]H)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	120.7387	1.665	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5]H)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.5270	0.000	1	121.5270	0.000	1	121.5270	0.000	1	120.7387	1.665	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H){1|C<3>,1|O<2>,2|O<1>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|N<3>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	120.7387	1.665	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5]H)(C[6a]N[6a]Cl)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5]H)(C[6a]N[6a]Cl){1|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|Cl<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	123.0060	0.000	1	123.0060	0.000	1	123.0060	0.000	1	120.7387	1.665	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H){1|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|N<3>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	120.9610	0.000	1	120.9610	0.000	1	120.9610	0.000	1	120.7387	1.665	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(OH){1|O<2>,2|H<1>,3|C<3>}	120.5350	0.182	2	120.5350	0.033	2	120.5350	0.033	2	120.3765	0.215	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	120.2180	0.716	2	120.2180	0.512	2	120.2180	0.512	2	120.3765	0.215	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:2:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5a]N[5]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5a]N[5]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|H<1>,1|N<2>,8|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|N<3>,2|N<2>,3|C<3>}	118.7670	0.000	1	118.7670	0.000	1	118.7670	0.000	1	118.7670	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:2:	3:3:3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5a]N[5]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5a]N[5]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|H<1>,1|N<2>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|N<2>,3|H<1>,6|C<3>}	120.1330	0.000	1	120.1330	0.000	1	120.1330	0.000	1	120.1330	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:4:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	120.3845	0.733	2	120.3845	0.538	2	120.3845	0.538	2	120.3845	0.538	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:4:	3:3:3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	121.7390	0.000	1	121.7390	0.000	1	121.7390	0.000	1	121.3260	0.341	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:2:4:	3:3:3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|N<3>,3|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	120.9130	0.000	1	120.9130	0.000	1	120.9130	0.000	1	121.3260	0.341	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.6530	0.020	2	122.6530	0.000	2	122.6530	0.000	2	119.7736	2.885	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]2H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]2H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.9020	0.000	1	120.9020	0.000	1	120.9020	0.000	1	119.7736	2.885	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.5660	0.000	1	120.5660	0.000	1	120.5660	0.000	1	119.7736	2.885	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]N[5]S)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]N[5]S)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	119.3820	0.000	1	119.3820	0.000	1	118.7800	0.725	2	119.7736	2.885	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]O[5]C)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	118.1780	0.000	1	118.1780	0.000	1	118.7800	0.725	2	119.7736	2.885	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[3,5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]N[3,5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[3,5]C[3,5]C[3])(N[5]C[5]H)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]N[3,5]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[3,5]C[3,5]C[3])(N[5]C[5]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	119.8900	0.000	1	119.8900	0.000	1	119.8900	0.000	1	119.7736	2.885	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|N<3>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|H<1>,7|C<3>}	118.3233	0.841	4	118.3233	0.707	4	118.3233	0.707	4	119.7736	2.885	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,4|C<3>}	119.7660	0.000	1	119.7660	0.000	1	119.7660	0.000	1	119.7736	2.885	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|H<1>,3|C<3>}	119.9300	0.000	1	119.9300	0.000	1	119.9300	0.000	1	119.9300	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|N<3>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	120.7575	0.953	4	120.7575	0.907	4	120.7575	0.907	4	120.7672	0.681	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5]){1|N<3>,3|H<1>,7|C<3>}	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	120.7672	0.681	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5,6a]2O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[5,6a]C[6a])(OH)	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5,6a]2O)(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[5,6a]C[6a])(OH){3|H<1>,7|C<3>}	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	118.6430	0.000	1	118.6430	0.000	1	118.6430	0.000	1	118.6005	3.169	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:N[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O[5])(C[6a]N[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a,6a]C[5])(N[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,4|C<3>}	120.7680	0.000	1	120.7680	0.000	1	120.7680	0.000	1	118.6005	3.169	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]O)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]Br)(N[5]C[5]S)(OC)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]O)(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]Br)(N[5]C[5]S)(OC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.9300	0.000	1	118.9300	0.000	1	118.9300	0.000	1	118.6005	3.169	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|H<1>,1|O<2>,6|C<3>}	117.2705	0.457	6	117.2705	0.209	6	118.2831	3.724	8	118.6005	3.169	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]O){7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|H<1>,2|O<2>,5|C<3>}	121.3210	0.646	2	121.3210	0.418	2	118.2831	3.724	8	118.6005	3.169	11	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:2:	3:3:2:	C[6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]O){7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|H<1>,1|O<2>,6|C<3>}	120.1065	0.247	2	120.1065	0.061	2	120.1065	0.061	2	120.1065	0.061	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	124.1580	0.277	6	124.1580	0.076	6	124.1580	0.076	6	124.1580	0.076	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]2C[6a])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,9|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H){6|C<3>}	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]N[5]O)(NCH)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(OS)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]O){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(OS){1|H<1>,1|N<3>,4|C<3>}	122.9170	0.000	1	122.9170	0.000	1	122.9170	0.000	1	122.9170	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]N[5]O)(CPdCH)	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]N[5]O)(CPdCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	123.0103	0.510	3	123.0103	0.260	3	123.0103	0.260	3	119.7668	20.012	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	114.9015	0.788	2	114.9015	0.622	2	114.9015	0.622	2	119.7668	20.012	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	127.8130	0.539	2	127.8130	0.290	2	127.8130	0.290	2	127.8130	0.290	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:2:2:	C[6a]-3:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]N[6a]O)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]N[6a]O){1|N<2>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.3710	0.000	1	123.3710	0.000	1	123.3710	0.000	1	121.8577	0.977	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	121.8577	0.977	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	121.8577	0.977	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]C[5]H)(C[6a]C[6a]H)	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.6156	0.725	10	121.6156	0.526	10	121.6156	0.526	10	121.8577	0.977	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]N[6a]O)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]N[6a]O){1|N<2>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.7900	0.000	1	123.7900	0.000	1	123.7900	0.000	1	121.8577	0.977	14	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O){4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,2|H<1>,3|C<3>}	121.0325	0.722	2	121.0325	0.521	2	120.6367	0.731	3	120.6367	0.731	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H){1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	119.8450	0.000	1	119.8450	0.000	1	120.6367	0.731	3	120.6367	0.731	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH){1|Si<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:3:4:2:	3:3:2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]O){2|H<1>,3|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH){1|Si<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.5890	0.000	1	120.5890	0.000	1	120.5890	0.000	1	120.5890	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:2:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	121.4680	2.176	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:2:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]O[5]H)(C[6a]O[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]O[5]H)(C[6a]O[6a]H){1|C<2>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	122.5110	0.000	1	122.5110	0.000	1	122.5110	0.000	1	121.4680	2.176	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,5]O[5]H)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1	119.4605	3.782	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.5700	0.000	1	119.5700	0.000	1	120.1107	0.222	3	119.4605	3.782	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3320	0.000	1	120.3810	0.005	2	120.1107	0.222	3	119.4605	3.782	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4300	0.000	1	120.3810	0.005	2	120.1107	0.222	3	119.4605	3.782	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0260	0.000	1	121.0260	0.000	1	121.0260	0.000	1	119.4605	3.782	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	122.6150	0.000	1	122.6150	0.000	1	122.6150	0.000	1	119.4605	3.782	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]O[5]H)(C[6a]O[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]O[5]H)(C[6a]O[6a]H){1|C<2>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	117.0990	0.000	1	117.0990	0.000	1	117.0990	0.000	1	119.4605	3.782	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.4440	0.000	1	118.4440	0.000	1	117.3133	2.055	3	119.4605	3.782	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.7950	0.000	1	117.7950	0.000	1	117.3133	2.055	3	119.4605	3.782	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.7010	0.000	1	115.7010	0.000	1	117.3133	2.055	3	119.4605	3.782	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]S[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]S[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	120.1130	0.000	1	120.1130	0.000	1	120.1130	0.000	1	119.4605	3.782	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]S[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]S[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.3080	0.000	1	121.3080	0.000	1	121.3080	0.000	1	119.4605	3.782	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[3,5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5]C[3,5]O[5]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5]C[3,5]O[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	120.7010	0.595	2	120.7010	0.354	2	120.7010	0.354	2	120.7010	0.354	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5]){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	121.6760	0.000	1	121.6760	0.000	1	121.3895	0.164	2	122.5127	3.867	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	121.1030	0.000	1	121.1030	0.000	1	121.3895	0.164	2	122.5127	3.867	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	124.7590	0.000	1	124.7590	0.000	1	124.7590	0.000	1	122.5127	3.867	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,4|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.9800	0.946	6	119.9800	0.895	6	120.8619	1.115	16	120.7781	1.637	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.1080	0.000	1	120.1080	0.000	1	120.8619	1.115	16	120.7781	1.637	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]O[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]O[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.7580	0.000	1	121.7580	0.000	1	120.8619	1.115	16	120.7781	1.637	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,4|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3710	0.000	1	121.3710	0.000	1	120.8619	1.115	16	120.7781	1.637	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,4|C<3>,5|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.0245	0.032	2	122.0245	0.001	2	120.8619	1.115	16	120.7781	1.637	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4630	0.000	1	120.4630	0.000	1	120.8619	1.115	16	120.7781	1.637	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]HH)(N[5]C[5]Cu)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|Cu<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]HH)(N[5]C[5]Cu)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5403	0.648	4	121.5403	0.419	4	120.8619	1.115	16	120.7781	1.637	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.1440	1.195	2	122.1440	1.428	2	122.1440	1.428	2	120.7781	1.637	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.7420	0.894	2	118.7420	0.799	2	118.7420	0.799	2	120.7781	1.637	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O){1|N<3>,3|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2027	0.379	3	121.2027	0.144	3	121.2027	0.144	3	121.2027	0.144	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:3:2:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5170	0.000	1	120.5170	0.000	1	120.5170	0.000	1	121.3955	0.593	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.7270	0.000	1	121.7270	0.000	1	121.1145	0.750	2	121.3955	0.593	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5020	0.000	1	120.5020	0.000	1	121.1145	0.750	2	121.3955	0.593	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6836	0.717	5	121.6836	0.515	5	121.6836	0.515	5	121.3955	0.593	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:2:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[3,5]-4:C[5]-4:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[3,5]C[5]C)(C[6a]C[6a]O)	C[5](C[6a]C[5a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[3,5]C[5]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[5a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	120.3980	0.000	1	120.3980	0.000	1	120.3980	0.000	1	120.3980	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6320	0.000	1	120.6320	0.000	1	120.6320	0.000	1	120.1043	1.664	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	121.0470	0.000	1	121.0470	0.000	1	121.0470	0.000	1	120.1043	1.664	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.6340	0.000	1	118.6340	0.000	1	118.6340	0.000	1	120.1043	1.664	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.3380	0.000	1	119.3380	0.000	1	119.3380	0.000	1	120.2215	1.561	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.1050	0.000	1	121.1050	0.000	1	121.1050	0.000	1	120.2215	1.561	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.7340	0.000	1	121.7340	0.000	1	121.0367	0.382	3	120.8897	0.341	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8200	0.000	1	120.8200	0.000	1	121.0367	0.382	3	120.8897	0.341	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5560	0.000	1	120.5560	0.000	1	121.0367	0.382	3	120.8897	0.341	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	120.8897	0.341	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	3:4:3:	4:3:4:1:	3:3:2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]O[6a]O)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]O[6a]O)(CN){1|H<1>,2|C<3>,2|C<4>}	124.3700	0.239	2	124.3700	0.057	2	124.3700	0.057	2	124.3700	0.057	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:2:3:	3:4:2:1:	3:3:1:	C[5]-4:N[6a]-2:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H)	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.3240	0.000	1	123.3240	0.000	1	123.3240	0.000	1	123.3240	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:2:3:	3:4:3:1:	3:2:3:	C[5]-4:N[6a]-2:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N)	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,5|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H){1|N<2>,1|N<3>,6|C<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.0300	0.000	1	121.0300	0.000	1	121.0300	0.000	1	121.0300	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(S[5]C[5])(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(S[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.2420	0.000	1	120.2420	0.000	1	120.2420	0.000	1	120.2420	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH){1|Os<6>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.1955	0.320	2	120.1955	0.103	2	121.0547	2.266	3	121.0547	2.266	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<6>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH){3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	122.7730	0.000	1	122.7730	0.000	1	121.0547	2.266	3	121.0547	2.266	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]N[6a])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]N[6a])2{4|H<1>,8|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	122.8595	2.384	2	122.8595	5.682	2	122.8595	5.682	2	121.6830	3.885	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Au<2>,1|C<4>,1|H<1>,6|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.9730	0.000	1	120.5065	0.435	2	120.5065	0.435	2	121.6830	3.885	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Au<2>,1|C<4>,1|H<1>,6|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.0400	0.000	1	120.5065	0.435	2	120.5065	0.435	2	121.6830	3.885	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	125.2800	0.916	2	125.2800	0.840	2	125.2800	0.840	2	124.6420	1.641	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]N[5]O)(N[5]C[5]H)(CH3)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.3660	0.000	1	123.3660	0.000	1	123.3660	0.000	1	124.6420	1.641	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3660	0.000	1	120.3660	0.000	1	120.3660	0.000	1	120.6830	1.049	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.8550	0.000	1	120.8415	1.946	2	120.8415	1.946	2	120.6830	1.049	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.8280	0.000	1	120.8415	1.946	2	120.8415	1.946	2	120.6830	1.049	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[5]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	122.2700	0.000	1	122.2700	0.000	1	122.2700	0.000	1	122.2700	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]2H)(C[5]N[5]O)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]2H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	124.3790	0.000	1	124.3790	0.000	1	124.3790	0.000	1	124.3790	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.7930	0.000	1	122.7930	0.000	1	122.7930	0.000	1	121.8774	1.966	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.0880	0.000	1	122.4095	1.083	4	121.8322	2.499	6	121.8774	1.966	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	122.7550	0.000	1	122.4095	1.083	4	121.8322	2.499	6	121.8774	1.966	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.2240	0.000	1	122.4095	1.083	4	121.8322	2.499	6	121.8774	1.966	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.5710	0.000	1	122.4095	1.083	4	121.8322	2.499	6	121.8774	1.966	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	119.0580	0.000	1	119.0580	0.000	1	121.8322	2.499	6	121.8774	1.966	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.2970	0.000	1	122.2970	0.000	1	121.8322	2.499	6	121.8774	1.966	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(P[5]C[5,6a]CO)(O[5]C[5,6a])(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(P[5]C[5,6a]CO)(O[5]C[5,6a])(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	121.2330	0.000	1	121.2330	0.000	1	121.2330	0.000	1	121.8774	1.966	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	123.4740	0.000	1	123.4740	0.000	1	123.4740	0.000	1	123.4740	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5980	0.000	1	120.9805	0.293	2	121.1645	0.169	6	121.1645	0.169	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.3630	0.000	1	120.9805	0.293	2	121.1645	0.169	6	121.1645	0.169	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4160	0.000	1	121.4160	0.000	1	121.1645	0.169	6	121.1645	0.169	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.6440	0.000	1	121.6440	0.000	1	121.1645	0.169	6	121.1645	0.169	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7330	0.000	1	120.7330	0.000	1	121.1645	0.169	6	121.1645	0.169	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H){1|Cu<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2330	0.000	1	121.2330	0.000	1	121.1645	0.169	6	121.1645	0.169	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	120.1370	0.000	1	120.1370	0.000	1	120.8160	0.922	2	120.8160	0.922	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5]H)(N[5]C[5]FeC)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5]H)(N[5]C[5]FeC)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	121.4950	0.000	1	121.4950	0.000	1	120.8160	0.922	2	120.8160	0.922	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.3900	0.119	2	121.3900	0.014	2	121.3900	0.014	2	121.3900	0.014	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	2:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	O[5]-2:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2879	1.928	8	120.2879	3.717	8	120.2879	3.717	8	120.2879	3.717	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	120.1827	1.067	4	120.1827	1.138	4	120.1827	1.138	4	120.1522	1.707	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[5]-2:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	120.0910	2.260	2	120.0910	5.107	2	120.0910	5.107	2	120.1522	1.707	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:2:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.5475	0.767	2	120.5475	0.589	2	120.3493	0.244	6	120.3493	0.244	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:2:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.3315	0.698	2	120.2502	0.171	4	120.3493	0.244	6	120.3493	0.244	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:2:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.1690	0.010	2	120.2502	0.171	4	120.3493	0.244	6	120.3493	0.244	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(O[5]B[5,5])(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]B[5,5])(C[5]O[5]O)(H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.4634	0.842	41	120.4634	0.708	41	120.4528	0.762	51	120.4568	0.787	53	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.1625	0.426	6	120.1625	0.182	6	120.4528	0.762	51	120.4568	0.787	53	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]N[5]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.7800	1.626	4	120.7800	2.645	4	120.4528	0.762	51	120.4568	0.787	53	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(S[5]C[4,5])(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(S[5]C[4,5])(N[5]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.5575	1.674	2	120.5575	2.801	2	120.5575	2.801	2	120.4568	0.787	53	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:2:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[5]-2:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]H)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	120.5580	1.414	2	120.5580	2.000	2	120.5580	2.000	2	120.5580	2.000	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|As<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6312	2.474	4	120.6312	6.119	4	120.6792	3.954	6	120.6792	3.954	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7750	1.177	2	120.7750	1.384	2	120.6792	3.954	6	120.6792	3.954	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	122.7010	0.203	8	122.7010	0.041	8	122.7010	0.041	8	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	121.0855	0.742	2	121.0855	0.550	2	121.0855	0.550	2	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]Cl)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]Cl)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(Cl){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	120.1595	0.254	2	120.1595	0.064	2	120.1595	0.064	2	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	120.5340	0.000	1	120.5340	0.000	1	120.5340	0.000	1	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	118.6740	0.000	1	118.6740	0.000	1	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]C)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	123.3480	0.000	1	123.3480	0.000	1	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.5750	0.000	1	118.5750	0.000	1	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.5270	0.000	1	118.3990	0.033	2	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	118.2710	0.000	1	118.3990	0.033	2	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	116.0570	0.000	1	116.0570	0.000	1	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H){1|F<1>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	118.8600	0.000	1	118.8600	0.000	1	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	120.6423	0.510	6	120.5984	1.674	14	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	120.4232	2.332	4	120.5984	1.674	14	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.3720	1.870	2	120.5984	1.674	14	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	121.0435	0.145	2	120.5984	1.674	14	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|H<1>,2|O<2>}	119.7615	0.644	2	119.7615	0.415	2	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|P<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.5005	2.956	2	120.5580	3.234	6	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|P<5>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	120.5867	1.573	4	120.5580	3.234	6	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H){1|C<5>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.8650	0.441	2	120.6755	0.526	4	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.4860	1.113	2	120.6755	0.526	4	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.4975	0.540	2	120.4975	0.291	2	120.2074	2.501	35	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.9895	0.855	2	120.9895	0.731	2	120.8360	0.814	6	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	120.6025	1.397	2	120.7593	1.090	4	120.8360	0.814	6	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9160	1.105	2	120.7593	1.090	4	120.8360	0.814	6	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,5]O)(C[6a]C[6a]2)(S[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]O)(C[6a]C[6a]2)(S[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	120.4745	3.171	2	120.4745	10.058	2	120.4745	10.058	2	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	120.7760	0.000	1	119.4165	3.696	2	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	118.0570	0.000	1	119.4165	3.696	2	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.2500	0.000	1	120.2500	0.000	1	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	117.9450	0.000	1	117.9450	0.000	1	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	122.5940	0.000	1	122.5940	0.000	1	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.7365	0.810	12	120.7365	0.656	12	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	120.7130	1.937	2	120.4775	0.679	12	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.1825	0.439	2	120.4775	0.679	12	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){2|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.2700	1.370	2	120.4775	0.679	12	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4415	0.681	2	120.4775	0.679	12	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.5290	0.083	2	120.4775	0.679	12	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.7290	0.815	2	120.4775	0.679	12	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	120.3855	0.778	6	120.4943	0.584	10	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.2295	0.510	2	120.4943	0.584	10	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	121.0855	1.030	2	120.4943	0.584	10	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.5410	0.255	2	120.5410	0.065	2	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]N)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(O[5]N[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	121.0935	0.132	2	121.0935	0.017	2	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.2675	0.269	2	120.2675	0.073	2	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5130	2.307	4	120.5130	5.321	4	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]Se)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]Se)(O[5]C[5,6])(H){1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.5270	0.567	2	120.5270	0.322	2	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	121.0345	0.230	2	120.6830	1.548	6	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.5072	1.562	4	120.6830	1.548	6	120.5288	1.121	57	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	122.7980	0.996	2	122.7980	0.991	2	120.8124	3.810	5	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	118.8910	0.000	1	118.8910	0.000	1	120.8124	3.810	5	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	119.7875	0.756	2	119.7875	0.571	2	120.8124	3.810	5	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.6390	0.000	1	119.5160	0.564	4	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.9835	0.349	2	119.5160	0.564	4	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.4580	0.000	1	119.5160	0.564	4	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	117.8180	0.000	1	117.8180	0.000	1	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	118.3605	0.853	2	120.2133	10.663	3	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	123.9190	0.000	1	120.2133	10.663	3	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	122.0355	3.782	2	122.0355	14.306	2	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.5990	0.692	2	120.6375	0.340	4	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	120.6760	0.733	2	120.6375	0.340	4	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.3175	0.367	4	120.3175	0.135	4	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|O<2>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	119.5620	0.000	1	119.5620	0.000	1	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	120.7460	0.000	1	120.4301	2.291	23	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	120.7545	0.749	2	120.4301	2.291	23	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	120.8815	1.426	2	120.4301	2.291	23	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	119.8342	0.684	4	120.4301	2.291	23	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.1935	1.724	4	120.4301	2.291	23	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.0280	3.298	2	120.4301	2.291	23	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.2230	1.464	2	120.4301	2.291	23	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.5760	2.264	2	120.4301	2.291	23	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.7140	2.619	2	120.4301	2.291	23	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	121.3410	2.799	2	120.4301	2.291	23	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|O<2>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	121.0100	0.000	1	120.3835	0.785	2	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	119.7570	0.000	1	120.3835	0.785	2	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.7600	1.472	2	120.7600	2.167	2	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.3000	0.100	2	120.2459	1.222	8	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.5525	1.155	2	120.2459	1.222	8	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.2655	0.664	2	120.2459	1.222	8	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	119.8655	2.507	2	120.2459	1.222	8	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.2830	0.000	1	120.2830	0.000	1	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.1920	0.000	1	120.4410	3.441	5	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.1430	0.658	2	120.4410	3.441	5	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8635	3.569	2	120.4410	3.441	5	120.3435	2.219	60	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|Br<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	118.9010	0.000	1	118.9010	0.000	1	118.9010	0.000	1	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){2|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	122.4795	3.289	2	122.4795	10.816	2	122.3735	6.102	4	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H){2|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	122.2675	2.729	2	122.2675	7.446	2	122.3735	6.102	4	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|Br<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	122.9340	0.000	1	122.9340	0.000	1	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	119.6520	0.000	1	119.6520	0.000	1	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	119.1330	0.000	1	119.3520	0.096	2	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	119.5710	0.000	1	119.3520	0.096	2	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	122.9310	0.000	1	122.5832	0.192	4	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	122.4673	0.456	3	122.5832	0.192	4	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.3955	4.632	2	120.3955	21.458	2	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	118.2090	0.000	1	118.2090	0.000	1	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	122.5400	0.000	1	120.5981	3.121	15	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	120.4580	1.983	4	120.5981	3.121	15	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	121.0165	0.592	2	120.5981	3.121	15	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.4835	0.484	2	120.5981	3.121	15	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.2090	0.283	2	120.5981	3.121	15	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.2952	2.963	4	120.5981	3.121	15	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	119.5515	1.029	2	119.5515	1.059	2	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	120.8685	1.607	2	120.8685	2.583	2	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.7125	1.872	2	120.7125	3.503	2	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	121.9370	0.870	2	121.1548	1.238	4	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	120.3725	0.713	2	121.1548	1.238	4	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	118.6470	0.519	2	118.6470	0.269	2	120.6256	3.220	38	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.7530	3.478	2	120.7530	12.093	2	120.7530	12.093	2	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	117.9630	0.000	1	117.9630	0.000	1	119.9766	3.620	16	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|P<4>,2|H<1>}	117.8080	0.000	1	117.8080	0.000	1	119.9766	3.620	16	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.2565	4.576	2	120.2753	3.408	14	119.9766	3.620	16	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.2122	1.601	10	120.2753	3.408	14	119.9766	3.620	16	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	120.6095	0.182	2	120.2753	3.408	14	119.9766	3.620	16	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	121.5330	0.000	1	121.5330	0.000	1	121.1365	0.314	2	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	120.7400	0.000	1	120.7400	0.000	1	121.1365	0.314	2	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	121.4440	0.000	1	121.4440	0.000	1	121.0018	3.692	16	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|F<1>,1|H<1>,1|N<3>,1|S<2>}	121.4940	0.000	1	121.4940	0.000	1	121.0018	3.692	16	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	121.0697	1.911	6	120.9350	4.222	14	121.0018	3.692	16	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	120.8115	4.273	2	120.9350	4.222	14	121.0018	3.692	16	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	121.3860	1.226	2	120.9350	4.222	14	121.0018	3.692	16	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.4550	3.956	2	120.9350	4.222	14	121.0018	3.692	16	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.6835	0.274	2	120.9350	4.222	14	121.0018	3.692	16	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|F<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	123.9175	0.906	2	123.9175	0.820	2	122.7430	4.412	6	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	122.1558	2.388	4	122.1558	5.700	4	122.7430	4.412	6	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|F<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.8955	1.141	2	120.8955	1.301	2	121.3317	2.214	6	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|F<1>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	120.7930	0.000	1	120.6440	0.044	2	121.3317	2.214	6	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|F<1>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.4950	0.000	1	120.6440	0.044	2	121.3317	2.214	6	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	122.4555	2.423	2	122.4555	5.872	2	121.3317	2.214	6	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|F<1>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	122.8310	0.000	1	122.7390	0.017	2	120.8465	3.220	8	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|F<1>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|F<1>}	122.6470	0.000	1	122.7390	0.017	2	120.8465	3.220	8	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	119.6860	1.884	2	119.6860	3.548	2	120.8465	3.220	8	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|H<1>,3|C<3>,3|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	120.5395	2.901	2	120.5395	8.417	2	120.8465	3.220	8	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.6970	0.000	1	120.6970	0.000	1	120.8465	3.220	8	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.1460	0.000	1	120.1460	0.000	1	120.8465	3.220	8	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6,6]O[5]H)(C[6a]C[6a]H)2	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.5203	2.128	8	120.5203	4.527	8	120.5203	4.527	8	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	118.0640	0.000	1	118.0640	0.000	1	120.1533	4.267	7	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.5015	2.025	6	120.5015	4.102	6	120.1533	4.267	7	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	122.4800	0.000	1	122.4800	0.000	1	120.5916	1.953	11	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.2010	0.390	2	120.2010	0.152	2	120.5916	1.953	11	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	119.9830	2.507	2	119.9830	6.287	2	120.5916	1.953	11	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4235	0.415	2	120.6100	1.696	6	120.5916	1.953	11	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.2545	1.886	2	120.6100	1.696	6	120.5916	1.953	11	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	121.1520	1.960	2	120.6100	1.696	6	120.5916	1.953	11	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.5890	1.205	2	120.5890	1.452	2	121.4635	6.483	4	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){2|Cl<1>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	122.3380	3.865	2	122.3380	14.939	2	121.4635	6.483	4	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](N[5]C[5,6a]B)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	C[5](N[5]C[5,6a]B)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	118.5275	3.927	2	118.5275	15.418	2	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	115.1580	0.000	1	115.1580	0.000	1	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>}	114.8275	0.325	2	114.8275	0.105	2	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	121.7665	0.818	2	121.7665	0.669	2	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	119.8350	0.000	1	119.8350	0.000	1	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.3965	0.643	2	120.3965	0.413	2	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	120.4055	1.611	2	120.7109	2.939	16	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	121.4650	2.496	4	120.7109	2.939	16	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.5180	2.463	4	120.7109	2.939	16	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.7410	0.728	2	120.7109	2.939	16	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.2875	0.494	4	120.7109	2.939	16	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.6955	1.429	2	120.6408	1.981	14	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.6372	2.424	4	120.6408	1.981	14	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.4817	0.738	6	120.6408	1.981	14	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	121.0705	1.681	2	120.6408	1.981	14	120.1594	4.798	40	120.5748	2.954	347	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|H<1>}	118.4222	0.319	8	118.4222	0.102	8	118.4222	0.102	8	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OH)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	117.7340	0.000	1	117.7340	0.000	1	117.7340	0.000	1	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.2790	0.000	1	118.2790	0.000	1	120.2175	7.516	2	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H){1|F<1>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|H<1>}	122.1560	0.000	1	122.1560	0.000	1	120.2175	7.516	2	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC){1|O<2>,2|C<3>,3|H<1>}	119.8140	0.000	1	121.1775	3.718	2	121.1775	3.718	2	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC){1|O<2>,2|C<3>,3|H<1>}	122.5410	0.000	1	121.1775	3.718	2	121.1775	3.718	2	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,3|H<1>}	119.2480	0.000	1	119.2480	0.000	1	119.2480	0.000	1	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>,3|H<1>}	119.2165	0.721	2	119.2165	0.519	2	120.0383	2.286	3	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>,3|H<1>}	121.6820	0.000	1	121.6820	0.000	1	120.0383	2.286	3	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.7905	1.044	2	121.9350	0.608	3	121.3528	3.445	5	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.2240	0.000	1	121.9350	0.608	3	121.3528	3.445	5	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	118.2410	0.000	1	118.2410	0.000	1	121.3528	3.445	5	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.7180	0.000	1	122.7180	0.000	1	121.3528	3.445	5	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	118.1540	0.000	1	118.3237	0.221	3	118.3555	0.151	4	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	118.4085	0.631	2	118.3237	0.221	3	118.3555	0.151	4	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	118.4510	0.000	1	118.4510	0.000	1	118.3555	0.151	4	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	124.0680	0.000	1	124.0680	0.000	1	124.0680	0.000	1	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	123.3750	0.000	1	123.3750	0.000	1	123.3750	0.000	1	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	117.9780	0.000	1	117.9780	0.000	1	117.9780	0.000	1	119.7542	3.910	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>,3|H<1>}	123.3380	0.000	1	123.3380	0.000	1	123.3380	0.000	1	122.7771	4.706	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCS)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCS){1|O<2>,2|C<3>,3|H<1>}	122.2830	0.000	1	122.2830	0.000	1	124.0060	5.937	2	122.7771	4.706	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,3|H<1>}	125.7290	0.000	1	125.7290	0.000	1	124.0060	5.937	2	122.7771	4.706	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CNO)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CNO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.5370	0.000	1	122.5370	0.000	1	121.1550	0.964	4	122.7771	4.706	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(CNO)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(CNO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.3280	0.000	1	120.3280	0.000	1	121.1550	0.964	4	122.7771	4.706	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])2(CNO)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])2(CNO){1|C<3>,2|N<3>,2|O<2>,4|H<1>}	120.8775	0.380	2	120.8775	0.144	2	121.1550	0.964	4	122.7771	4.706	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	124.6510	0.000	1	124.5720	0.012	2	124.5720	0.012	2	122.7771	4.706	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	124.4930	0.000	1	124.5720	0.012	2	124.5720	0.012	2	122.7771	4.706	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](N[5]C[5,6a]B)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	C[5](N[5]C[5,6a]B)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	122.0865	4.481	2	122.0865	20.079	2	122.0865	20.079	2	122.7771	4.706	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	124.0380	0.000	1	124.0380	0.000	1	124.0380	0.000	1	122.7771	4.706	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CHHO)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CHHO){1|O<2>,2|C<3>,3|H<1>}	119.5860	0.000	1	119.5860	0.000	1	122.7860	4.645	4	123.0809	5.570	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.9600	0.000	1	123.9600	0.000	1	122.7860	4.645	4	123.0809	5.570	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]HH){2|C<3>,2|H<1>,2|O<2>}	123.4360	0.000	1	123.4360	0.000	1	122.7860	4.645	4	123.0809	5.570	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>,3|O<2>}	124.1620	0.000	1	124.1620	0.000	1	122.7860	4.645	4	123.0809	5.570	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	123.0809	5.570	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.0870	0.000	1	121.0870	0.000	1	121.0870	0.000	1	123.0809	5.570	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	125.6090	0.301	2	125.2573	0.416	3	125.2573	0.416	3	123.0809	5.570	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	124.5540	0.000	1	125.2573	0.416	3	125.2573	0.416	3	123.0809	5.570	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:N[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	120.5545	0.812	2	120.5545	0.660	2	120.5545	0.660	2	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]S)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5])(SC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]S)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5])(SC[6a]){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	120.7525	1.282	2	120.7525	1.643	2	120.7525	1.643	2	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(OC){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.6605	0.510	2	120.6605	0.260	2	120.6605	0.260	2	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	120.2470	0.997	2	120.2470	0.994	2	120.2132	2.269	13	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	120.2071	1.620	11	120.2071	2.623	11	120.2132	2.269	13	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.1965	0.293	2	119.1965	0.086	2	120.1906	1.657	14	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.6585	1.064	2	120.6585	1.133	2	120.1906	1.657	14	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.3337	1.153	4	120.3337	1.329	4	120.1906	1.657	14	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.8205	1.757	2	120.8205	3.088	2	120.1906	1.657	14	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6]){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	119.9958	1.808	4	119.9958	3.268	4	120.1906	1.657	14	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5a]O[5]2)(C[6a]C[6a]H)2	C[5](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O[5]C[5,6a])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5a]O[5]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O[5]C[5,6a])2{1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|O<2>}	120.5200	0.779	2	120.1105	1.030	4	120.1105	1.030	4	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5a]O[5]2)(C[6a]C[6a]H)2	C[5](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O[5]C[5,6a])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5a]O[5]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O[5]C[5,6a])2{1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	119.7010	1.346	2	120.1105	1.030	4	120.1105	1.030	4	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]F)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]F)2{1|O<1>,2|F<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){2|C<3>,2|F<1>,2|O<2>}	122.2225	0.390	2	122.2225	0.152	2	122.2225	0.152	2	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.6775	0.783	2	120.6775	0.613	2	120.6432	2.604	6	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.6260	2.033	4	120.6260	4.135	4	120.6432	2.604	6	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(N[5]C[5])2{5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|N<2>}	120.7724	0.572	8	120.7620	1.039	12	120.7620	1.039	12	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(N[5]C[5])2{5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	120.7412	1.745	4	120.7620	1.039	12	120.7620	1.039	12	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.2114	1.470	12	120.2114	2.160	12	120.2458	1.628	28	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(O[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)2(O[5]C[5])2{1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.3652	1.228	12	120.2716	1.345	16	120.2458	1.628	28	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(O[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	119.9908	1.028	4	120.2716	1.345	16	120.2458	1.628	28	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]S)(S[5]C[5])(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(S[5]C[5])(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	120.3775	1.450	2	120.3775	2.103	2	120.3775	2.103	2	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|Cl<1>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	121.7355	0.022	2	121.7355	0.000	2	122.0608	0.124	5	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|Cl<1>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	122.2777	0.266	3	122.2777	0.071	3	122.0608	0.124	5	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]F)2	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|N<2>,2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>,2|N<2>}	122.5855	3.635	2	122.5855	13.215	2	122.5855	13.215	2	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|H<1>,1|N<2>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	119.9830	0.000	1	119.9830	0.000	1	119.3986	2.636	19	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5,6a])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	118.2580	0.000	1	118.2580	0.000	1	119.3986	2.636	19	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	118.2416	0.338	5	118.1793	0.115	6	119.3986	2.636	19	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	117.8680	0.000	1	118.1793	0.115	6	119.3986	2.636	19	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|Cl<1>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|N<2>}	119.0805	0.329	2	119.0805	0.108	2	119.3986	2.636	19	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|Cl<1>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|N<2>}	119.8847	0.244	3	119.8847	0.060	3	119.3986	2.636	19	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|N<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	120.4870	2.939	4	120.5735	5.379	6	119.3986	2.636	19	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|N<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	120.7465	0.947	2	120.5735	5.379	6	119.3986	2.636	19	120.3447	2.137	113	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|H<1>,1|N<2>,8|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>,5|C<3>}	119.0640	0.000	1	119.0640	0.000	1	119.0640	0.000	1	119.0640	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){2|C<3>,2|H<1>,2|O<2>}	121.1910	0.542	2	121.1910	0.293	2	121.1910	0.293	2	121.5464	0.328	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5,6a])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	121.8960	0.000	1	121.8960	0.000	1	121.6480	0.334	7	121.5464	0.328	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	121.6040	0.695	5	121.6067	0.387	6	121.6480	0.334	7	121.5464	0.328	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	121.6200	0.000	1	121.6067	0.387	6	121.6480	0.334	7	121.5464	0.328	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1745	1.054	2	121.1745	1.112	2	120.4103	2.572	4	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	119.6460	2.066	2	119.6460	4.269	2	120.4103	2.572	4	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]N)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(NCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]N)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(NCC){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8355	2.515	2	120.8355	6.326	2	120.8355	6.326	2	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	120.9115	2.457	2	120.9811	3.525	8	120.7673	4.236	12	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	121.1945	1.875	4	120.9811	3.525	8	120.7673	4.236	12	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.6240	2.763	2	120.9811	3.525	8	120.7673	4.236	12	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	117.4930	0.000	1	117.4930	0.000	1	120.7673	4.236	12	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	122.6600	0.000	1	121.2883	5.012	3	120.7673	4.236	12	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.6025	2.683	2	121.2883	5.012	3	120.7673	4.236	12	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]N)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]N)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(NCH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8310	0.751	2	120.8310	0.564	2	120.5558	2.010	4	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]N)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(NCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]N)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(NCC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.2805	2.272	2	120.2805	5.162	2	120.5558	2.010	4	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8135	1.780	2	120.8135	3.168	2	120.7575	2.089	4	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7015	1.757	2	120.7015	3.088	2	120.7575	2.089	4	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:S[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]N)(S[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(S[5]C[5])(COO){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|H<1>,3|C<3>}	120.9775	3.976	2	120.9775	15.809	2	120.9775	15.809	2	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[5]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(O[5]C[5,6])(C[5]O[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)2(O[5]C[5,6])(C[5]O[5]O){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.2758	3.293	4	120.2758	10.841	4	120.5883	4.137	28	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[5]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(O[5]Si[5,5])(C[5]O[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)2(O[5]Si[5,5])(C[5]O[5]O){3|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.6404	1.850	24	120.6404	3.423	24	120.5883	4.137	28	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	120.5490	1.556	2	120.5490	2.420	2	120.5490	2.420	2	120.6431	3.575	58	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.6785	3.620	2	121.6785	13.102	2	121.6785	13.102	2	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|As<5>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2170	4.320	2	121.2170	18.666	2	120.8124	4.315	10	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6935	1.884	4	120.6935	3.549	4	120.8124	4.315	10	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5205	1.105	2	120.5205	1.221	2	120.8124	4.315	10	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|P<5>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9375	2.778	2	120.9375	7.719	2	120.8124	4.315	10	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.7070	0.320	2	124.6433	0.063	3	124.6433	0.063	3	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.5160	0.000	1	124.6433	0.063	3	124.6433	0.063	3	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.0905	2.118	2	119.2983	2.372	3	119.9126	3.918	5	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.7140	0.000	1	119.2983	2.372	3	119.9126	3.918	5	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.8340	2.845	2	120.8340	8.096	2	119.9126	3.918	5	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	121.2230	0.346	2	120.8723	0.268	4	120.6407	0.366	12	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.5215	0.438	2	120.8723	0.268	4	120.6407	0.366	12	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.1255	0.595	2	120.1255	0.354	2	120.6407	0.366	12	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.6580	0.651	6	120.6580	0.424	6	120.6407	0.366	12	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4165	1.317	2	120.4165	1.735	2	120.5740	1.800	28	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.3060	1.400	2	121.3060	1.960	2	120.5740	1.800	28	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6403	0.792	4	120.6403	0.628	4	120.5740	1.800	28	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	120.5563	0.447	4	120.7122	0.166	8	120.5740	1.800	28	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.8683	0.349	4	120.7122	0.166	8	120.5740	1.800	28	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3760	1.805	2	120.3760	3.256	2	120.5740	1.800	28	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.9415	4.037	2	120.2242	5.539	4	120.5740	1.800	28	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5070	0.041	2	120.2242	5.539	4	120.5740	1.800	28	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5343	2.102	4	120.5343	4.420	4	120.5740	1.800	28	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]Rh)(O[5]B[5,5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|Rh<4>,1|B<4>,1|C<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]Rh)(O[5]B[5,5])(CF3){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2910	2.588	2	120.2910	6.698	2	120.5740	1.800	28	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:S[5]-2:S-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]S)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(SCOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]S)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(SCOO){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,1|S<4>,2|C<3>,2|H<1>}	120.7630	3.280	2	120.7630	10.756	2	120.7630	10.756	2	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.6970	0.000	1	119.1035	0.330	2	119.9550	3.329	14	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.5100	0.000	1	119.1035	0.330	2	119.9550	3.329	14	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	115.8590	0.000	1	115.8590	0.000	1	119.9550	3.329	14	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	120.4600	0.000	1	120.4600	0.000	1	119.9550	3.329	14	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]O)(O[5]C[5])(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)(O[5]C[5])(CCHH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	120.0185	3.779	2	120.0185	14.285	2	119.9550	3.329	14	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	120.4955	0.152	2	120.6009	0.977	8	119.9550	3.329	14	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6405	0.983	4	120.6009	0.977	8	119.9550	3.329	14	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.6270	1.971	2	120.6009	0.977	8	119.9550	3.329	14	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	121.2570	1.450	4	121.2570	2.101	4	121.2570	2.101	4	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]O[5]C)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	120.8160	0.161	2	120.8160	0.026	2	120.8160	0.026	2	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.9710	0.841	2	120.9710	0.708	2	120.8193	5.125	6	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7435	2.878	4	120.7435	8.283	4	120.8193	5.125	6	120.6955	3.078	88	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	126.6150	0.000	1	126.6150	0.000	1	124.2675	11.022	2	124.2675	11.022	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.9200	0.000	1	121.9200	0.000	1	124.2675	11.022	2	124.2675	11.022	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	122.6640	0.000	1	122.3235	0.232	2	122.3235	0.232	2	122.3235	0.232	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.9830	0.000	1	122.3235	0.232	2	122.3235	0.232	2	122.3235	0.232	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<2>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|F<1>,1|O<1>,4|C<3>}	120.7250	0.000	1	120.7250	0.000	1	120.7250	0.000	1	120.9875	0.138	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|H<1>,1|O<1>,4|C<3>}	121.2500	0.000	1	121.2500	0.000	1	121.2500	0.000	1	120.9875	0.138	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|F<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<3>,1|H<1>,2|C<3>,2|F<1>}	121.8770	0.821	4	121.8770	0.675	4	121.8770	0.675	4	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,3|H<1>}	120.8610	1.232	10	120.8610	1.519	10	120.9083	1.426	12	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2	C[5](B[5]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](B[5]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,3|H<1>}	121.1450	1.372	2	121.1450	1.882	2	120.9083	1.426	12	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6520	0.331	2	120.8347	0.353	6	120.7078	0.393	8	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1860	0.174	2	120.8347	0.353	6	120.7078	0.393	8	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6660	1.120	2	120.8347	0.353	6	120.7078	0.393	8	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.3270	0.772	2	120.3270	0.596	2	120.7078	0.393	8	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.3680	0.880	2	120.3680	0.774	2	120.3680	0.774	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6760	0.284	2	120.6760	0.081	2	120.7592	1.592	6	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.8030	2.802	2	120.8030	7.849	2	120.7592	1.592	6	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7985	0.107	2	120.7985	0.011	2	120.7592	1.592	6	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	121.8090	0.000	1	121.8090	0.000	1	121.8090	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.5660	0.000	1	120.5660	0.000	1	120.6413	0.622	3	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6790	1.112	2	120.6790	1.236	2	120.6413	0.622	3	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8715	0.127	2	120.8715	0.016	2	120.8715	0.016	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	120.2890	0.000	1	120.2890	0.000	1	120.5110	0.099	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7330	0.000	1	120.7330	0.000	1	120.5110	0.099	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.1600	0.119	2	121.1600	0.014	2	121.1600	0.014	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6453	0.733	4	120.6453	0.538	4	120.6453	0.538	4	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5195	2.688	2	120.5195	7.224	2	120.5195	7.224	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	123.7550	0.000	1	123.7550	0.000	1	123.7550	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	119.1330	0.000	1	119.1330	0.000	1	120.6756	0.964	7	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.8955	0.585	2	120.9327	0.602	6	120.6756	0.964	7	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.9900	0.823	2	120.9327	0.602	6	120.6756	0.964	7	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.9125	1.406	2	120.9327	0.602	6	120.6756	0.964	7	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	121.0050	0.000	1	121.0050	0.000	1	121.0050	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.7370	0.000	1	119.7370	0.000	1	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	115.7643	2.088	4	115.7643	4.360	4	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	122.3530	0.000	1	122.3530	0.000	1	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	118.4880	0.000	1	118.4880	0.000	1	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	120.4790	0.000	1	120.4790	0.000	1	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6100	0.000	1	120.7435	0.534	14	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.3510	0.000	1	120.7435	0.534	14	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5410	1.875	2	120.7435	0.534	14	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.7533	0.281	4	120.7435	0.534	14	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2205	0.598	2	120.7435	0.534	14	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7280	0.841	4	120.7435	0.534	14	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	120.4520	0.000	1	120.4520	0.000	1	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.5460	0.000	1	120.7231	0.637	15	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8960	1.394	2	120.7231	0.637	15	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6257	0.746	12	120.7231	0.637	15	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	118.5310	0.000	1	118.5310	0.000	1	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5577	1.675	4	120.5577	2.804	4	120.1531	3.224	43	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6150	2.169	2	120.6150	4.706	2	121.1350	3.492	4	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|I<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.6550	2.165	2	121.6550	4.688	2	121.1350	3.492	4	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<2>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|F<1>,1|O<2>,2|H<1>,4|C<3>}	118.6040	0.000	1	118.6040	0.000	1	118.6040	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	120.5240	2.611	2	120.5240	6.815	2	120.3063	2.375	4	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(F)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(F){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|F<1>,1|H<1>,3|C<3>}	120.0885	0.344	2	120.0885	0.119	2	120.3063	2.375	4	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|O<2>,3|H<1>,4|C<3>}	118.6300	0.000	1	118.6300	0.000	1	118.6300	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	119.9890	0.000	1	119.9890	0.000	1	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.5205	0.063	2	121.5205	0.004	2	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	118.4310	0.000	1	118.4310	0.000	1	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	120.4405	0.252	6	120.4405	0.064	6	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.7957	0.615	20	120.7939	0.345	24	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6490	0.423	2	120.7939	0.345	24	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.9210	0.700	2	120.7939	0.345	24	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8480	0.296	2	120.8768	0.307	24	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7060	0.181	2	120.8768	0.307	24	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.9840	1.933	2	120.8768	0.307	24	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.0470	1.335	2	120.8768	0.307	24	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8090	0.576	2	120.8768	0.307	24	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.9960	0.117	2	120.8768	0.307	24	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8553	0.286	12	120.8768	0.307	24	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.4925	0.718	2	120.4925	0.515	2	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.3655	0.387	2	120.4215	0.073	4	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.4775	0.240	2	120.4215	0.073	4	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.8180	1.864	2	120.8180	3.474	2	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.6275	0.407	2	120.5963	0.356	10	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5885	0.659	8	120.5963	0.356	10	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]N)(H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0720	0.699	2	121.0720	0.488	2	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.4605	0.783	2	120.4605	0.613	2	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	121.2410	1.254	2	121.2410	1.574	2	120.7319	0.435	82	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	121.2240	0.000	1	121.2240	0.000	1	121.2240	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.7740	0.000	1	118.7740	0.000	1	120.3593	1.000	27	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4787	0.367	4	120.4787	0.134	4	120.3593	1.000	27	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.1425	0.021	2	121.1425	0.000	2	120.3593	1.000	27	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6360	1.427	2	120.3639	0.460	17	120.3593	1.000	27	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.2745	0.964	2	120.3639	0.460	17	120.3593	1.000	27	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,1|S<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.1630	0.000	1	120.3639	0.460	17	120.3593	1.000	27	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2602	0.536	4	120.3639	0.460	17	120.3593	1.000	27	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.4215	0.405	2	120.3639	0.460	17	120.3593	1.000	27	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.2975	1.030	2	120.3639	0.460	17	120.3593	1.000	27	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.1810	0.660	4	120.3639	0.460	17	120.3593	1.000	27	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,1|S<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	119.6600	0.000	1	119.6600	0.000	1	120.3593	1.000	27	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]S)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4405	3.733	2	120.4405	13.934	2	120.3593	1.000	27	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O){3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<1>,3|N<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5,5a]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5,5a]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.2935	1.054	2	120.2935	1.112	2	120.2935	1.112	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.1120	0.000	1	120.1120	0.000	1	120.1120	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.0150	0.000	1	120.0150	0.000	1	120.9271	1.065	10	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.7110	0.000	1	121.7110	0.000	1	120.9271	1.065	10	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|B<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.8503	1.259	6	120.8503	1.586	6	120.9271	1.065	10	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2215	0.069	2	121.2215	0.005	2	120.9271	1.065	10	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:B[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]S)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,3|H<1>}	120.8625	0.409	2	120.8625	0.168	2	120.8625	0.168	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,3|H<1>}	122.4130	0.000	1	122.4130	0.000	1	122.4130	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.8420	0.000	1	120.8420	0.000	1	120.5563	0.788	7	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]H)(H){2|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.7525	0.767	2	120.7525	0.589	2	120.5563	0.788	7	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3350	0.522	2	120.3350	0.272	2	120.5563	0.788	7	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4385	1.893	2	120.4385	3.583	2	120.5563	0.788	7	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	125.9590	0.000	1	125.9590	0.000	1	125.9590	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,3|H<1>}	124.4620	0.000	1	124.4620	0.000	1	124.4620	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	118.4840	0.000	1	118.4840	0.000	1	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.7750	0.000	1	121.7750	0.000	1	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.4370	0.397	2	120.4370	0.158	2	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]P)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]P)(H){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.6925	0.298	2	119.6925	0.089	2	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.5896	1.276	8	120.6364	0.965	24	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.8170	1.987	2	120.6364	0.965	24	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5240	0.044	2	120.6364	0.965	24	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4040	0.535	4	120.6364	0.965	24	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6175	1.464	2	120.6364	0.965	24	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.9445	0.060	2	120.6364	0.965	24	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.9405	1.662	2	120.6364	0.965	24	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.6270	0.615	2	120.6364	0.965	24	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	121.0955	0.837	2	120.9147	0.774	6	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.9390	1.010	2	120.9147	0.774	6	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7095	1.414	2	120.9147	0.774	6	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7142	0.386	4	120.7193	0.090	6	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7295	0.069	2	120.7193	0.090	6	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3868	1.490	4	120.5809	1.200	8	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7750	0.692	4	120.5809	1.200	8	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]S)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9380	2.901	2	120.9380	8.413	2	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4825	0.627	2	120.8845	0.526	6	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.4475	1.067	2	120.8845	0.526	6	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7235	0.295	2	120.8845	0.526	6	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8355	3.982	2	120.5696	4.167	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4635	3.630	2	120.5696	4.167	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3395	0.795	2	120.5696	4.167	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|I<1>,1|N<3>,2|C<3>,2|H<1>}	120.5670	0.256	2	120.5696	4.167	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.9130	1.199	2	120.5696	4.167	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.6935	4.842	2	120.5696	4.167	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3723	1.550	4	120.5696	4.167	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|I<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)(H){1|Br<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.6385	0.146	2	120.6385	0.021	2	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3102	1.715	4	120.3102	2.941	4	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.1453	0.633	4	120.1453	0.401	4	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]S[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.9000	1.191	2	120.9000	1.418	2	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7035	2.071	2	120.2504	1.401	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.3580	2.094	2	120.2504	1.401	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.1787	1.300	6	120.2504	1.401	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.1975	0.298	2	120.2504	1.401	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.1550	1.563	2	120.2504	1.401	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.0530	0.890	2	120.2504	1.401	16	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8015	0.223	2	120.8015	0.050	2	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.6080	0.397	2	120.7185	0.785	6	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7738	1.115	4	120.7185	0.785	6	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]S)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4085	0.107	2	120.4085	0.011	2	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6335	0.691	2	120.6335	0.477	2	120.5565	1.398	114	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.9710	1.026	6	120.9710	1.052	6	120.9710	1.052	6	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<3>,3|H<1>}	120.8450	2.394	2	120.8450	5.732	2	120.8450	5.732	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.4950	2.285	2	120.4950	5.223	2	120.4950	5.223	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.6900	2.275	2	120.6900	5.178	2	120.6905	2.246	4	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.6910	1.249	2	120.6910	1.559	2	120.6905	2.246	4	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	117.8410	0.000	1	117.8410	0.000	1	120.0500	4.592	5	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.5325	2.081	2	120.6022	4.090	4	120.0500	4.592	5	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.6720	2.814	2	120.6022	4.090	4	120.0500	4.592	5	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5312	1.345	4	120.5312	1.808	4	120.5312	1.808	4	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4038	1.263	8	120.4038	1.596	8	120.5027	0.862	20	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,3|H<1>}	120.8590	0.000	1	120.8590	0.000	1	120.5027	0.862	20	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7545	0.262	2	120.5424	0.499	11	120.5027	0.862	20	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.3945	1.189	2	120.5424	0.499	11	120.5027	0.862	20	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.9205	0.175	2	120.5424	0.499	11	120.5027	0.862	20	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3870	0.000	1	120.5424	0.499	11	120.5027	0.862	20	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3600	0.984	4	120.5424	0.499	11	120.5027	0.862	20	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	119.9901	1.170	8	120.1006	3.749	10	120.1667	3.011	14	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.5425	4.866	2	120.1006	3.749	10	120.1667	3.011	14	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.1690	1.054	2	120.1690	1.110	2	120.1667	3.011	14	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.4950	2.007	2	120.4950	4.027	2	120.1667	3.011	14	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5405	0.786	10	120.5405	0.618	10	120.5405	0.618	10	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5900	1.703	2	120.5395	1.025	4	120.5395	1.025	4	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4890	0.406	2	120.5395	1.025	4	120.5395	1.025	4	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Cl<1>,1|C<3>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.1980	0.000	1	120.1980	0.000	1	120.1980	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.2490	0.000	1	119.2490	0.000	1	120.4826	0.636	11	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9435	0.600	2	120.7581	0.325	9	120.4826	0.636	11	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.1710	0.000	1	120.7581	0.325	9	120.4826	0.636	11	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.8995	1.122	2	120.7581	0.325	9	120.4826	0.636	11	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3205	0.312	2	120.7581	0.325	9	120.4826	0.636	11	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.6625	0.449	2	120.7581	0.325	9	120.4826	0.636	11	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	119.2370	0.000	1	119.2370	0.000	1	120.4826	0.636	11	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,2|N<3>,4|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.7990	0.000	1	120.5152	0.365	5	120.4845	0.298	6	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.4442	0.674	4	120.5152	0.365	5	120.4845	0.298	6	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]N[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,2|N<3>,4|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.3310	0.000	1	120.3310	0.000	1	120.4845	0.298	6	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:P[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|P<3>,2|C<3>,2|H<1>}	120.1480	0.327	2	120.1480	0.107	2	120.1480	0.107	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3690	1.168	2	120.3690	1.365	2	120.3690	1.365	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,3|H<1>}	123.1860	0.000	1	123.1860	0.000	1	123.1860	0.000	1	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8720	0.000	1	120.8720	0.000	1	121.1493	4.922	26	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	119.2780	0.000	1	119.2780	0.000	1	121.1493	4.922	26	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	126.1760	0.147	3	126.1760	0.022	3	121.1493	4.922	26	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	124.9370	0.000	1	124.9370	0.000	1	121.1493	4.922	26	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.1305	2.304	2	120.3051	0.870	14	121.1493	4.922	26	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3512	0.696	6	120.3051	0.870	14	121.1493	4.922	26	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5845	1.083	2	120.3051	0.870	14	121.1493	4.922	26	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.1838	0.839	4	120.3051	0.870	14	121.1493	4.922	26	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.0318	0.152	4	120.0318	0.023	4	121.1493	4.922	26	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.9340	1.686	2	120.9340	2.842	2	121.1493	4.922	26	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]O)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|S<3>,2|H<1>}	120.3775	2.340	2	120.3775	5.475	2	120.3775	5.475	2	120.6133	1.682	483	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	120.4530	0.000	1	120.4530	0.000	1	120.4530	0.000	1	119.1049	8.677	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){3|C<3>,3|H<1>}	122.5900	0.000	1	122.5900	0.000	1	120.8830	2.207	3	119.1049	8.677	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){3|C<3>,3|H<1>}	120.0295	0.207	2	120.0295	0.043	2	120.8830	2.207	3	119.1049	8.677	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.2670	0.000	1	119.2670	0.000	1	119.2670	0.000	1	119.1049	8.677	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	118.9790	0.000	1	118.9790	0.000	1	118.9790	0.000	1	119.1049	8.677	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,3|H<1>}	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	119.1049	8.677	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,3|H<1>}	119.4710	0.000	1	119.4710	0.000	1	119.4710	0.000	1	119.1049	8.677	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|N<3>,3|H<1>}	125.5370	0.000	1	125.5370	0.000	1	125.5370	0.000	1	119.1049	8.677	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OH)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Cl<1>,1|C<3>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,2|N<3>,3|H<1>}	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	119.1049	8.677	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	119.1049	8.677	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,3|H<1>}	115.6980	0.291	3	115.6980	0.085	3	115.7982	0.097	4	119.1049	8.677	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,3|H<1>}	116.0990	0.000	1	116.0990	0.000	1	115.7982	0.097	4	119.1049	8.677	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2){3|C<3>,3|H<1>}	122.0010	0.000	1	122.0010	0.000	1	122.0010	0.000	1	122.0530	0.752	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NHH)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O){3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<1>,3|N<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	123.2620	0.000	1	123.2620	0.000	1	123.2620	0.000	1	122.0530	0.752	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:P[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,1|N<3>,1|P<3>,3|H<1>}	121.4745	0.350	2	121.4745	0.123	2	121.4745	0.123	2	122.0530	0.752	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.4668	0.787	4	120.4668	0.620	4	120.5318	0.809	8	121.3402	4.919	24	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]C)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.5968	1.121	4	120.5968	1.256	4	120.5318	0.809	8	121.3402	4.919	24	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){3|C<3>,3|H<1>}	126.0680	0.737	3	126.0680	0.544	3	122.0162	8.198	12	121.3402	4.919	24	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	122.7620	0.000	1	122.7620	0.000	1	122.0162	8.198	12	121.3402	4.919	24	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2	C[5](C[5,6a]C[5,6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.4350	2.990	2	120.4350	8.938	2	122.0162	8.198	12	121.3402	4.919	24	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.3388	1.543	4	120.3388	2.381	4	122.0162	8.198	12	121.3402	4.919	24	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.5015	1.537	2	120.5015	2.361	2	122.0162	8.198	12	121.3402	4.919	24	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2O)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2O){3|C<3>,3|H<1>}	122.4430	0.000	1	122.4430	0.000	1	122.4430	0.000	1	121.3402	4.919	24	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|H<1>}	121.0610	0.000	1	121.0610	0.000	1	121.0610	0.000	1	121.3402	4.919	24	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.1060	1.498	2	120.1060	2.243	2	120.1060	2.243	2	121.3402	4.919	24	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>}	122.2090	0.000	1	122.2090	0.000	1	122.2090	0.000	1	119.2657	16.917	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<2>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|O<1>,1|O<2>,4|C<3>}	121.0220	0.000	1	121.0220	0.000	1	121.0220	0.000	1	119.2657	16.917	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:O[6a]-2:O-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O){2|O<2>,4|C<3>}	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	119.2657	16.917	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.5678	0.206	4	120.5678	0.043	4	120.5678	0.043	4	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.5736	0.936	8	120.5736	0.876	8	120.5736	0.876	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<2>,3|C<3>}	120.9810	0.000	1	120.9810	0.000	1	120.9810	0.000	1	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.3620	1.983	2	120.3620	3.931	2	120.3620	3.931	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,6]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,6]O)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.3240	0.577	2	120.3240	0.333	2	120.3240	0.333	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,2|H<1>,3|C<3>}	120.3355	2.913	2	120.3355	8.483	2	120.3355	8.483	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	118.6157	1.014	22	118.6157	1.028	22	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	113.9942	4.771	5	113.9942	22.760	5	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OO){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.5780	0.000	1	118.5780	0.000	1	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|N<3>,2|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	116.3380	0.000	1	116.3380	0.000	1	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	121.0190	0.000	1	121.0190	0.000	1	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	120.7157	0.877	15	120.7157	0.769	15	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	121.5940	0.000	1	121.5940	0.000	1	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	119.6650	0.000	1	120.8420	1.064	85	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.0030	0.831	14	120.8420	1.064	85	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){2|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7722	1.184	4	120.8420	1.064	85	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.0882	1.026	34	120.8420	1.064	85	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.1661	0.774	18	120.8420	1.064	85	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7704	1.108	14	120.8420	1.064	85	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	121.6120	2.011	2	121.6120	4.044	2	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.6780	1.556	2	120.6780	2.420	2	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8613	1.896	6	120.8613	3.597	6	120.2064	3.938	141	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|C<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	119.1400	0.000	1	119.1400	0.000	1	120.2440	2.438	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|C<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	121.3480	0.000	1	121.3480	0.000	1	120.2440	2.438	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7165	0.764	2	120.7165	0.584	2	120.7950	0.665	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.0155	1.070	4	121.0155	1.144	4	120.7950	0.665	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.4325	0.409	2	120.4325	0.168	2	120.7950	0.665	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,2|H<1>,3|C<3>}	121.0910	0.327	2	121.0910	0.107	2	121.0910	0.107	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	120.8735	0.037	2	120.8735	0.001	2	120.8735	0.001	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<2>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){2|H<1>,2|O<2>,4|C<3>}	118.8720	0.000	1	118.8720	0.000	1	118.8720	0.000	1	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H){1|N<3>,2|O<2>,3|C<3>}	120.3890	0.000	1	120.3890	0.000	1	120.6285	1.024	23	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.4250	0.000	1	121.4250	0.000	1	120.6285	1.024	23	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){3|C<3>,3|O<2>}	121.2340	0.000	1	121.2340	0.000	1	120.6285	1.024	23	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.5185	0.426	2	121.5185	0.182	2	120.6285	1.024	23	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	120.5145	1.374	2	120.5145	1.888	2	120.6285	1.024	23	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.4205	0.278	2	120.4205	0.077	2	120.6285	1.024	23	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.5158	1.055	6	120.5158	1.114	6	120.6285	1.024	23	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OH){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.2930	1.912	2	120.2930	3.656	2	120.6285	1.024	23	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	120.1525	0.968	2	120.2338	0.400	4	120.6285	1.024	23	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.3150	0.486	2	120.2338	0.400	4	120.6285	1.024	23	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(OH){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9425	2.467	2	120.9425	6.087	2	120.6285	1.024	23	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(SC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(SC){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|S<2>,2|H<1>,5|C<3>}	121.5950	0.000	1	121.5950	0.000	1	121.5950	0.000	1	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(SC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(SC){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,1|S<2>,4|C<3>}	118.7450	0.000	1	118.7450	0.000	1	120.5036	4.619	9	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	121.4020	3.663	2	121.1123	7.789	4	120.5036	4.619	9	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|H<1>,3|C<3>}	120.8225	3.101	2	121.1123	7.789	4	120.5036	4.619	9	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|S<2>,2|H<1>,3|C<3>}	118.2410	0.000	1	118.2410	0.000	1	120.5036	4.619	9	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|H<1>,3|C<3>}	122.4450	0.000	1	122.4450	0.000	1	120.5036	4.619	9	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC[6])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC[6]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	120.3260	0.240	2	120.3260	0.058	2	120.5036	4.619	9	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]){2|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	120.8190	2.154	4	120.6744	2.082	8	120.6744	2.082	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]){2|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	120.5298	0.403	4	120.6744	2.082	8	120.6744	2.082	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.5580	0.890	2	120.5580	0.791	2	120.9055	2.269	46	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	120.4570	2.913	2	120.8913	2.245	42	120.9055	2.269	46	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	120.8720	1.300	24	120.8913	2.245	42	120.9055	2.269	46	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.4565	2.760	4	120.8913	2.245	42	120.9055	2.269	46	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	120.9259	1.002	8	120.8913	2.245	42	120.9055	2.269	46	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.5900	2.064	4	120.8913	2.245	42	120.9055	2.269	46	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,2|O<2>,3|C<3>}	121.5505	2.863	2	121.5505	8.197	2	120.9055	2.269	46	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]S[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]S[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S[5]C[5]){1|S<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|H<1>,3|C<3>}	120.7110	1.351	4	120.7110	1.825	4	120.7110	1.825	4	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CC){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<2>,1|H<1>,1|N<3>,2|C<3>}	120.2740	1.368	2	120.2740	1.870	2	120.2740	1.870	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.8250	0.000	1	123.8250	0.000	1	123.8250	0.000	1	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.1870	0.000	1	119.1870	0.000	1	120.5850	0.991	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	120.1460	0.000	1	120.1460	0.000	1	120.5850	0.991	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.6240	0.000	1	120.6260	0.502	7	120.5850	0.991	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.7610	0.751	4	120.6260	0.502	7	120.5850	0.991	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.3570	1.051	2	120.6260	0.502	7	120.5850	0.991	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.1100	0.000	1	120.1100	0.000	1	120.5850	0.991	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.9630	0.124	3	121.1321	0.497	13	120.5850	0.991	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8828	0.600	10	121.1321	0.497	13	120.5850	0.991	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]S)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]S)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.7947	0.070	3	118.7947	0.005	3	120.5850	0.991	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.7275	1.357	2	120.7275	1.841	2	120.5850	0.991	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|Br<1>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	124.1280	0.000	1	124.1280	0.000	1	124.1280	0.000	1	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|Br<1>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.6990	0.000	1	119.6990	0.000	1	120.2046	0.130	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	120.7480	0.000	1	120.7480	0.000	1	120.2046	0.130	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.0725	0.210	4	120.1983	0.071	6	120.2046	0.130	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.4500	0.181	2	120.1983	0.071	6	120.2046	0.130	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(N[5]C[5]){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	121.2463	3.045	4	121.2463	9.272	4	121.2463	9.272	4	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)2(O[5]C[5,6])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)2(O[5]C[5,6]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7315	2.064	4	120.7315	4.260	4	120.5851	3.807	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,5|C<3>}	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|O<2>,3|C<3>}	120.4415	3.685	2	120.4415	13.577	2	120.5851	3.807	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.4360	0.348	2	120.4360	0.121	2	120.5851	3.807	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]N[5a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.2260	0.000	1	120.2260	0.000	1	120.5050	9.573	3	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	120.6445	4.362	2	120.6445	19.028	2	120.5050	9.573	3	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.7675	2.872	2	120.7675	8.246	2	120.7675	8.246	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.2010	1.520	2	121.2010	2.311	2	121.2010	2.311	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(OH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.5055	2.261	2	120.5055	5.110	2	120.4664	1.199	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(OH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.3675	1.678	2	120.3675	2.816	2	120.4664	1.199	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)(OH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.5425	0.660	2	120.5425	0.435	2	120.4664	1.199	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(OH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4500	0.004	2	120.4500	0.000	2	120.4664	1.199	8	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	120.7362	3.356	4	120.8225	5.908	8	120.7624	3.000	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	120.9087	1.583	4	120.8225	5.908	8	120.7624	3.000	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5]){1|C<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	120.9115	1.037	4	120.9913	1.651	8	120.7624	3.000	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5]){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	121.0710	1.661	4	120.9913	1.651	8	120.7624	3.000	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]O)(N[5]C[5]){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	120.6617	1.449	4	120.6617	2.101	4	120.7624	3.000	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	120.4518	1.195	4	120.5237	2.978	8	120.7624	3.000	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	120.5957	2.346	4	120.5237	2.978	8	120.7624	3.000	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5]){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|O<2>,2|H<1>,3|C<3>}	121.6420	0.330	2	121.6420	0.109	2	121.6420	0.109	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5]){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	121.6100	0.516	2	121.6100	0.266	2	120.5338	0.930	34	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5]){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.6758	0.421	4	120.6758	0.177	4	120.5338	0.930	34	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5]){1|Br<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.5966	1.336	8	120.5966	1.784	8	120.5338	0.930	34	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]P[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|P<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]P[5]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.4350	0.368	4	120.4350	0.135	4	120.5338	0.930	34	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5]){1|C<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	120.7140	1.509	4	120.3159	0.952	12	120.5338	0.930	34	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5]){1|C<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.1169	0.619	8	120.3159	0.952	12	120.5338	0.930	34	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]N[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]N[5]){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.4808	1.079	4	120.4808	1.164	4	120.5338	0.930	34	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.3800	2.058	28	120.3800	4.235	28	120.3800	4.235	28	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.8355	0.283	4	122.8355	0.080	4	122.8355	0.080	4	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	119.7950	0.000	1	119.7950	0.000	1	120.2658	1.232	19	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.1647	0.254	4	120.1647	0.064	4	120.2658	1.232	19	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	119.8478	0.281	4	119.8478	0.079	4	120.2658	1.232	19	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]C[5]H)(O[5]N[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]C[5]H)(O[5]N[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.5353	1.690	8	120.5353	2.857	8	120.2658	1.232	19	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4620	0.342	2	120.4620	0.117	2	120.2658	1.232	19	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:Ge-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]N[5]2Ge)(C[6a]C[6a]F)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(GeF)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F)	C[6a](C[5]N[5]2Ge)(C[6a]C[6a]F)2{1|N<2>,2|F<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(GeF){2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F){1|Ge<2>,1|C<3>,1|F<1>,2|N<3>}	123.4270	4.975	2	123.4270	24.753	2	123.4270	24.753	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]2O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]S)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]2O[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]S)(O[5]C[5]){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	119.9930	2.094	2	119.9930	4.387	2	119.9930	4.387	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.7410	1.855	2	120.7410	3.443	2	120.7410	3.443	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]C[5]O)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]C[5]O)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.3423	2.021	4	120.3423	4.083	4	120.3423	4.083	4	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]O)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(OC){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.1870	1.100	2	120.1870	1.211	2	120.1870	1.211	2	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,6|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.5652	0.734	4	120.5652	0.539	4	120.5652	0.539	4	120.5195	2.822	465	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5]-4:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[6a]C[5]O[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[5]C[6a]C[5]O[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){2|O<2>,8|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	123.7760	0.000	1	123.7760	0.000	1	123.7760	0.000	1	122.0051	3.408	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){1|C<2>,2|H<1>,3|C<3>}	121.4390	0.000	1	121.4390	0.000	1	121.4390	0.000	1	122.0051	3.408	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OH){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	121.1270	0.000	1	121.1270	0.000	1	121.1270	0.000	1	122.0051	3.408	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	125.2670	0.000	1	125.2670	0.000	1	125.2670	0.000	1	122.0051	3.408	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,2|O<2>,3|C<3>}	120.1730	0.000	1	120.1730	0.000	1	120.1730	0.000	1	122.0051	3.408	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.5440	0.000	1	120.5440	0.000	1	120.5440	0.000	1	122.0051	3.408	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.7100	0.000	1	121.7100	0.000	1	121.7100	0.000	1	122.0051	3.408	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	124.9172	0.799	4	122.9314	1.242	22	122.9314	1.242	22	122.7372	2.108	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	122.4901	0.536	18	122.9314	1.242	22	122.9314	1.242	22	122.7372	2.108	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|N<3>,2|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]2){1|O<2>,2|H<1>,3|C<3>}	126.2970	0.000	1	126.2970	0.000	1	126.2970	0.000	1	122.7372	2.108	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC){1|O<2>,2|H<1>,3|C<3>}	119.2030	0.000	1	119.2030	0.000	1	119.2030	0.000	1	122.7372	2.108	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.6628	0.266	4	121.6628	0.071	4	121.6628	0.071	4	122.7372	2.108	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){1|O<2>,2|H<1>,3|C<3>}	131.3577	0.840	3	131.3577	0.705	3	126.7768	25.522	6	125.4928	24.566	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH){1|O<2>,2|H<1>,3|C<3>}	122.5060	0.000	1	122.5060	0.000	1	126.7768	25.522	6	125.4928	24.566	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|H<1>,3|C<3>}	121.7680	0.000	1	121.7680	0.000	1	126.7768	25.522	6	125.4928	24.566	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OO){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH){1|O<2>,2|H<1>,3|C<3>}	122.3140	0.000	1	122.3140	0.000	1	126.7768	25.522	6	125.4928	24.566	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){1|S<2>,2|H<1>,3|C<3>}	128.0120	0.000	1	128.0120	0.000	1	128.0120	0.000	1	125.4928	24.566	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]N[5a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]N[5a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.9220	0.000	1	119.9220	0.000	1	119.9220	0.000	1	125.4928	24.566	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	120.8400	0.000	1	120.8400	0.000	1	120.8400	0.000	1	125.4928	24.566	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|O<1>,5|C<3>}	123.1050	0.000	1	123.1050	0.000	1	123.1050	0.000	1	123.1050	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]C[6a])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.2965	1.248	4	121.2965	1.557	4	121.2965	1.557	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8820	0.614	4	120.8820	0.377	4	120.8820	0.377	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.9800	0.324	2	120.9800	0.105	2	120.7852	4.883	6	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.6877	2.840	4	120.6877	8.066	4	120.7852	4.883	6	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]S[5a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,2|S<2>,5|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])2(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.0945	0.974	2	121.0945	0.948	2	121.0945	0.948	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|S<2>,6|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.5632	1.604	4	121.5632	2.573	4	121.3283	3.127	24	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{2|S<2>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.1364	1.964	16	121.1364	3.858	16	121.3283	3.127	24	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|S<2>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.8607	1.209	4	121.8607	1.463	4	121.3283	3.127	24	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)2(C[5]C[5]C){1|S<1>,1|S<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.9808	2.257	4	120.9808	5.095	4	121.1573	3.837	8	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.3338	1.943	4	121.3338	3.774	4	121.1573	3.837	8	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)(COO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5150	1.803	2	120.5150	3.251	2	120.5150	3.251	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(C[5]C[5]O){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8067	1.266	4	120.8067	1.603	4	120.8067	1.603	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|Se<2>,6|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.7327	1.367	4	121.7327	1.870	4	121.7327	1.870	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,6|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[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,4|C<3>}	116.8170	0.000	1	116.8170	0.000	1	116.8170	0.000	1	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2){4|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,6|C<3>}	120.1750	0.000	1	120.1750	0.000	1	120.9315	1.145	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|F<1>,4|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,6|C<3>}	121.6880	0.000	1	121.6880	0.000	1	120.9315	1.145	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]F)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]F)2{1|N<2>,2|F<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|F<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F){1|F<1>,4|C<3>}	123.0528	0.779	4	123.0528	0.607	4	123.0528	0.607	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2){4|H<1>,8|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,4|C<3>}	120.1600	0.000	1	120.1600	0.000	1	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|F<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,4|C<3>}	119.3570	0.000	1	119.3570	0.000	1	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	118.7623	0.234	3	118.7623	0.055	3	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	118.8520	0.000	1	118.8520	0.000	1	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,7|C<3>}	118.2130	1.123	4	118.2130	1.262	4	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	115.1660	0.000	1	116.9400	6.294	2	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	118.7140	0.000	1	116.9400	6.294	2	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	117.4144	1.763	5	117.4144	3.107	5	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)2{1|N<2>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8735	2.229	4	120.8735	4.969	4	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.0190	1.382	4	121.0190	1.909	4	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8030	0.174	2	120.8030	0.030	2	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.8365	1.148	2	120.8365	1.317	2	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	119.1525	1.655	2	119.1525	2.740	2	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.3810	0.000	1	121.1900	1.630	131	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.2233	2.539	4	121.1900	1.630	131	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|F<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.6765	0.226	2	121.1900	1.630	131	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|N<2>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.6405	1.870	2	121.1900	1.630	131	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.5880	1.657	12	121.1900	1.630	131	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	121.2010	1.471	8	121.1900	1.630	131	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	121.1074	1.362	16	121.1900	1.630	131	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.2674	1.174	52	121.1900	1.630	131	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	120.8494	1.157	8	121.1900	1.630	131	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.0345	1.108	26	121.1900	1.630	131	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	120.8660	0.819	2	120.8660	0.670	2	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])2(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){2|H<1>,7|C<3>}	120.8680	0.000	1	120.8680	0.000	1	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.5613	0.340	4	121.5613	0.116	4	120.8423	2.503	169	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2){2|C<4>,7|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5847	1.370	6	120.5847	1.877	6	120.5847	1.877	6	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.4965	0.585	2	120.4965	0.342	2	120.4965	0.342	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{4|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.5563	1.662	4	120.5563	2.763	4	120.5563	2.763	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.6690	0.136	2	120.6690	0.018	2	120.6690	0.018	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H){2|H<1>,6|C<3>}	122.1630	0.000	1	122.1630	0.000	1	122.1630	0.000	1	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,5|C<3>}	118.6380	0.000	1	118.6380	0.000	1	118.5047	6.706	3	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,4|C<3>}	121.0250	0.000	1	121.0250	0.000	1	118.5047	6.706	3	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	115.8510	0.000	1	115.8510	0.000	1	118.5047	6.706	3	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|O<2>,2|H<1>,5|C<3>}	116.9700	0.000	1	116.9700	0.000	1	116.9700	0.000	1	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.2040	0.000	1	121.2040	0.000	1	120.8115	3.501	19	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCC){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	120.8400	0.812	2	120.8400	0.659	2	120.8115	3.501	19	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.8307	3.004	4	120.8307	9.022	4	120.8115	3.501	19	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CNO){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.4020	1.653	2	120.4020	2.733	2	120.8115	3.501	19	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.9226	2.100	8	120.9226	4.409	8	120.8115	3.501	19	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.5130	0.957	2	120.5130	0.917	2	120.8115	3.501	19	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H){1|O<2>,2|N<3>,3|C<3>}	118.4590	0.000	1	118.2585	0.080	2	120.3957	3.117	31	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H){1|N<3>,1|O<2>,4|C<3>}	118.0580	0.000	1	118.2585	0.080	2	120.3957	3.117	31	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.7397	1.159	6	120.7397	1.343	6	120.3957	3.117	31	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCN){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.2955	1.232	2	120.2955	1.519	2	120.3957	3.117	31	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.2580	2.915	4	120.3613	8.744	6	120.3957	3.117	31	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5680	4.255	2	120.3613	8.744	6	120.3957	3.117	31	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|H<1>,3|C<3>}	118.8200	0.000	1	118.8200	0.000	1	120.3957	3.117	31	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	122.8790	0.000	1	120.8708	3.116	5	120.3957	3.117	31	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.3688	1.573	4	120.8708	3.116	5	120.3957	3.117	31	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCC){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.3110	2.292	2	120.3110	5.255	2	120.3957	3.117	31	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCH){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6797	1.272	7	120.6797	1.617	7	120.3957	3.117	31	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|N<2>,3|H<1>,5|C<3>}	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){6|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	121.3345	1.141	2	121.3345	1.301	2	121.3345	1.301	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	121.9770	0.000	1	121.9770	0.000	1	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.5305	1.074	2	120.5305	1.154	2	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,3|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	117.9630	0.000	1	117.9630	0.000	1	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	121.2150	0.000	1	121.8057	0.301	3	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	122.1010	0.281	2	121.8057	0.301	3	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.6538	1.801	4	121.6538	3.242	4	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]H){5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.5250	0.488	2	120.8903	2.345	4	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]H){5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.2555	2.502	2	120.8903	2.345	4	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<2>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.5785	1.808	4	120.5785	3.267	4	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8529	1.473	12	120.8529	2.170	12	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	122.0220	0.300	2	122.0220	0.090	2	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8575	0.016	2	120.7548	1.165	36	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.9930	1.427	4	120.7548	1.165	36	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8718	0.746	6	120.7548	1.165	36	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.7064	1.270	20	120.7548	1.165	36	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.5312	0.458	4	120.7548	1.165	36	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	119.0675	0.066	2	119.0675	0.004	2	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.6930	1.670	2	120.9147	2.590	6	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.0255	1.827	4	120.9147	2.590	6	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]P[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|P<3>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]P[5]H){1|Ru<6>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.5505	1.422	4	120.5505	2.021	4	120.8171	1.715	81	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]H){2|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	120.3628	0.760	4	120.3474	0.879	8	120.3474	0.879	8	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]H){2|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.3320	1.213	4	120.3474	0.879	8	120.3474	0.879	8	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6740	1.047	2	120.6740	1.095	2	120.3821	2.021	10	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO){1|F<1>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.3091	1.553	8	120.3091	2.412	8	120.3821	2.021	10	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{1|Cu<3>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.7520	1.562	4	120.7520	2.441	4	120.7722	1.234	8	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.7925	0.661	4	120.7925	0.437	4	120.7722	1.234	8	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5920	0.257	2	120.5920	0.066	2	120.5920	0.066	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5a]N[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.8050	0.386	2	120.8050	0.149	2	120.8050	0.149	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|H<1>,2|O<1>,6|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	120.8676	2.153	8	120.8676	4.634	8	120.9425	4.066	20	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|H<1>,2|O<1>,6|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.1439	2.102	8	120.9923	4.068	12	120.9425	4.066	20	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{2|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	121.1000	0.345	2	120.9923	4.068	12	120.9425	4.066	20	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{2|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.2785	3.532	2	120.9923	4.068	12	120.9425	4.066	20	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(B[5]C[5]S)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(B[5]C[5]S){5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|H<1>,3|C<3>}	121.1268	1.031	4	121.1268	1.064	4	121.1268	1.064	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H){1|Os<6>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.3925	2.738	4	121.3925	7.496	4	121.3925	7.496	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)2(N[5]S[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)2(N[5]S[5]H){2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.0027	3.440	4	121.0242	8.732	8	121.0242	8.732	8	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)2(N[5]S[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)2(N[5]S[5]H){2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	121.0457	2.923	4	121.0242	8.732	8	121.0242	8.732	8	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.9830	0.000	1	121.9830	0.000	1	120.3930	5.056	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.8030	0.000	1	118.8030	0.000	1	120.3930	5.056	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.7335	3.002	4	120.7335	9.013	4	120.7335	9.013	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.2000	1.598	2	120.2000	2.554	2	120.2497	0.878	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCN){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.2995	0.265	2	120.2995	0.070	2	120.2497	0.878	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.4965	2.452	2	120.4965	6.010	2	120.6052	1.817	8	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.7502	1.239	4	120.7502	1.535	4	120.6052	1.817	8	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.4240	1.389	2	120.4240	1.929	2	120.6052	1.817	8	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]S[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]S[5]H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.8370	1.056	2	120.8370	1.116	2	120.8370	1.116	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5a]N[5]2)(C[6a]C[6a]H)2	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	121.1955	0.350	2	121.1955	0.123	2	121.1955	0.123	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[6]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]C[6]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(C[6]C[6]2)(N[5]S[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]C[6]N[5])(C[6a]C[6a]H)2{1|C<2>,1|N<3>,1|O<1>,1|S<4>,2|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[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.0580	0.901	2	120.0580	0.812	2	120.0580	0.812	2	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO){1|Cl<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|N<3>,2|H<1>,3|C<3>}	125.8780	0.000	1	125.8780	0.000	1	125.8780	0.000	1	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO){1|Cl<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	117.6160	0.000	1	117.6160	0.000	1	120.0128	2.519	11	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6670	1.264	2	120.6670	1.598	2	120.0128	2.519	11	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.3215	0.006	2	120.3215	0.000	2	120.0128	2.519	11	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5]H)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	119.7685	3.392	2	119.7685	11.506	2	120.0128	2.519	11	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCC){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6460	2.062	2	120.6460	4.252	2	120.0128	2.519	11	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(COO){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	119.8595	0.279	2	119.8595	0.078	2	120.0128	2.519	11	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]O[5]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]O[5]N){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.9947	0.530	4	120.9947	0.281	4	120.9947	0.281	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]N)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]N)(N[5]C[5]H){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.7940	3.127	4	120.7940	9.779	4	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5877	0.192	3	120.5877	0.037	3	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|S<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.2192	2.273	4	120.5995	3.294	134	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.3779	1.851	32	120.5995	3.294	134	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|S<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5962	1.710	4	120.5995	3.294	134	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|Co<6>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8319	1.933	16	120.5995	3.294	134	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|Cu<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6464	1.778	28	120.5995	3.294	134	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|Cu<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6197	2.139	12	120.5995	3.294	134	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|N<2>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.7022	2.084	12	120.5995	3.294	134	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.7344	0.659	8	120.5995	3.294	134	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|Ni<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5627	3.165	4	120.5995	3.294	134	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6660	0.416	2	120.5995	3.294	134	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|S<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.3967	1.895	4	120.5995	3.294	134	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|Zn<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8320	1.690	8	120.5995	3.294	134	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.0995	0.890	2	121.0995	0.793	2	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]S[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]S[5]H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	120.9820	3.424	2	120.6492	4.613	4	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]S[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]S[5]H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.3165	1.293	2	120.6492	4.613	4	120.6127	3.307	147	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]C[5]Si)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]C[5]Si)(C[5]N[5]O){1|Si<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6340	2.289	4	120.6340	5.240	4	120.6340	5.240	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[5](N[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)2(C[5]C[5]H){1|Re<6>,1|N<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5435	2.182	4	120.5435	4.759	4	120.5435	4.759	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[6a]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]N[5,5])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[6a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]N[5,5])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{10|C<3>,1|O<1>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.6930	3.120	4	120.6930	9.734	4	120.6930	9.734	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]C[5,5]C[6a])(C[6a]C[6a]H)2	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]C[5,5]C[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5595	1.268	4	120.5595	1.608	4	120.5595	1.608	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]O[5]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,2|N<2>,4|C<3>}	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]O[5]N){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6305	0.922	4	120.6305	0.851	4	120.6305	0.851	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|Au<2>,1|N<2>,2|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.4490	5.003	2	120.5572	15.070	4	120.5572	15.070	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|Au<2>,1|N<2>,2|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6655	4.487	2	120.5572	15.070	4	120.5572	15.070	4	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pd)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pd){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.5520	1.961	4	120.5520	3.844	4	120.4878	2.209	12	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pt)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|Pt<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pt){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.2518	1.529	4	120.4556	1.820	8	120.4878	2.209	12	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pt)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|Pt<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pt){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.6595	1.341	4	120.4556	1.820	8	120.4878	2.209	12	120.7484	2.852	676	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	121.5710	0.342	2	121.5710	0.117	2	121.5710	0.117	2	122.0461	4.105	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	120.1480	0.000	1	120.1480	0.000	1	122.8755	14.879	2	122.0461	4.105	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	125.6030	0.000	1	125.6030	0.000	1	122.8755	14.879	2	122.0461	4.105	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,4|C<3>}	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	122.0461	4.105	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OS)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OS){2|H<1>,2|N<3>,4|C<3>}	124.7310	0.000	1	124.7310	0.000	1	124.8420	0.025	2	122.0461	4.105	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(OS)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(OS){1|N<3>,2|H<1>,5|C<3>}	124.9530	0.000	1	124.9530	0.000	1	124.8420	0.025	2	122.0461	4.105	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|O<2>,3|C<3>}	122.1805	0.299	2	122.1805	0.089	2	122.1805	0.089	2	122.0461	4.105	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	121.3680	0.000	1	120.5377	0.773	3	120.5377	0.773	3	122.0461	4.105	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	120.1225	0.715	2	120.5377	0.773	3	120.5377	0.773	3	122.0461	4.105	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){2|H<1>,4|C<3>}	127.1700	0.000	1	124.5311	1.906	12	124.5311	1.906	12	124.5886	1.433	16	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){2|H<1>,4|C<3>}	124.6452	1.504	5	124.5311	1.906	12	124.5311	1.906	12	124.5886	1.433	16	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){2|H<1>,4|C<3>}	123.9962	0.798	6	124.5311	1.906	12	124.5311	1.906	12	124.5886	1.433	16	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	124.7610	0.346	4	124.7610	0.120	4	124.7610	0.120	4	124.5886	1.433	16	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,3|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,4|C<3>}	121.2300	0.000	1	121.2300	0.000	1	121.2300	0.000	1	121.2300	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|C<4>,1|O<1>,4|C<3>}	121.9740	0.000	1	121.9740	0.000	1	122.3277	0.885	7	122.3277	0.885	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|C<4>,1|O<1>,4|C<3>}	121.3970	0.000	1	121.3970	0.000	1	122.3277	0.885	7	122.3277	0.885	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|C<4>,1|O<1>,4|C<3>}	122.5448	1.148	4	122.5846	0.996	5	122.3277	0.885	7	122.3277	0.885	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(H){1|C<4>,1|O<1>,4|C<3>}	122.7440	0.000	1	122.5846	0.996	5	122.3277	0.885	7	122.3277	0.885	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5,5]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]B[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](B[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]B[5,5]C[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](B[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	121.3930	0.000	1	121.3930	0.000	1	121.3930	0.000	1	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]B[5]C[5]Si)(C[6a]C[6a]H)2	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]B[5]C[5]Si)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(SiC3){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|B<3>,2|C<3>,2|H<1>}	121.3976	3.180	10	121.3976	10.110	10	121.3976	10.110	10	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5,6a]C)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5,6a]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9110	3.989	2	120.9110	15.916	2	120.9110	15.916	2	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]CH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]CH){6|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0615	1.541	4	121.0615	2.374	4	121.0615	2.374	4	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	120.7155	0.760	2	120.7155	0.578	2	120.7155	0.578	2	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	121.1415	1.361	4	121.1415	1.854	4	121.1415	1.854	4	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0890	2.099	2	121.0890	4.405	2	121.0890	4.405	2	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC[6a]OO){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	121.3650	0.577	2	121.3650	0.333	2	121.3650	0.333	2	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH){1|Si<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8785	3.381	2	120.8785	11.429	2	121.1015	6.350	4	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.3245	2.724	2	121.3245	7.423	2	121.1015	6.350	4	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	117.7080	0.000	1	117.7080	0.000	1	117.7080	0.000	1	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.4650	0.000	1	118.4650	0.000	1	118.1013	0.572	7	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.9010	0.000	1	118.9010	0.000	1	118.1013	0.572	7	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	117.9232	0.881	4	117.8686	0.598	5	118.1013	0.572	7	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	117.6500	0.000	1	117.8686	0.598	5	118.1013	0.572	7	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.2060	0.000	1	123.2060	0.000	1	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.7860	0.000	1	120.7860	0.000	1	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	125.0980	0.102	2	125.0980	0.010	2	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.4100	0.141	2	121.4100	0.020	2	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.7170	2.336	2	122.0897	3.498	4	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.4625	2.116	2	122.0897	3.498	4	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3775	2.160	2	121.3775	4.667	2	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9890	0.608	2	120.9890	0.370	2	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.6890	0.000	1	121.6890	0.000	1	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.9160	0.000	1	120.3593	0.436	3	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5810	0.759	2	120.3593	0.436	3	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.3060	0.000	1	121.5590	2.647	9	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.4540	2.630	2	121.5590	2.647	9	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2685	1.919	4	121.5590	2.647	9	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.8715	1.447	2	121.5590	2.647	9	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	117.6660	0.000	1	117.6660	0.000	1	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9085	3.743	2	120.9565	5.139	4	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.0045	1.183	2	120.9565	5.139	4	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8545	1.383	4	120.8545	1.912	4	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8792	0.421	4	120.8792	0.177	4	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7845	1.083	2	120.7845	1.172	2	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1543	2.746	4	121.0860	7.387	6	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9495	3.777	2	121.0860	7.387	6	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	121.1850	0.918	2	121.1850	0.842	2	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9480	1.240	2	120.9480	1.538	2	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5425	0.902	2	120.5425	0.813	2	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|H<1>,3|C<3>}	120.4080	0.000	1	120.4080	0.000	1	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0740	0.000	1	121.0740	0.000	1	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1090	1.653	2	121.1090	2.733	2	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5513	0.905	4	120.5513	0.820	4	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.1095	2.039	2	121.1095	4.156	2	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CPdHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CPdHH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|H<1>,3|C<3>}	122.2600	0.000	1	122.2600	0.000	1	121.2176	2.655	65	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]CC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]CC){6|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.6497	2.310	4	121.6497	5.334	4	121.4498	4.908	29	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|C<2>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2033	2.609	6	121.4178	5.052	25	121.4498	4.908	29	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.4440	2.306	4	121.4178	5.052	25	121.4498	4.908	29	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|Cl<1>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2412	2.174	8	121.4178	5.052	25	121.4498	4.908	29	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.7886	2.473	7	121.4178	5.052	25	121.4498	4.908	29	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7000	1.185	4	120.7000	1.405	4	120.7530	1.923	10	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CH3){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9030	2.916	2	120.9030	8.504	2	120.7530	1.923	10	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7310	1.228	4	120.7310	1.509	4	120.7530	1.923	10	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5,5a]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5,5a]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7843	0.991	4	120.7843	0.981	4	120.7843	0.981	4	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5,5a]C[3])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5,5a]C[3])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C){1|N<2>,5|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8430	1.394	2	120.8430	1.944	2	120.8430	1.944	2	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.9420	0.000	1	122.9420	0.000	1	122.9420	0.000	1	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.4660	0.000	1	120.4660	0.000	1	120.6725	2.702	11	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0830	1.530	2	121.0830	2.341	2	120.6725	2.702	11	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.9695	3.722	2	119.9695	13.850	2	120.6725	2.702	11	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8965	1.631	4	120.8965	2.659	4	120.6725	2.702	11	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6200	1.130	2	120.6200	1.277	2	120.6725	2.702	11	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5100	1.114	2	120.5100	1.242	2	120.5100	1.242	2	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]C[6]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]C[6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[6]C[6]2H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0378	0.606	6	121.0378	0.367	6	121.0378	0.367	6	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.2764	0.403	5	118.2764	0.162	5	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	115.1110	0.000	1	115.1110	0.000	1	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.7300	0.000	1	120.7300	0.000	1	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0614	1.494	15	121.0165	2.258	17	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6800	2.152	2	121.0165	2.258	17	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6295	2.116	2	120.6295	4.479	2	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]C)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]C)(CC[6a]HH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0650	0.093	2	121.0650	0.009	2	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5613	0.541	6	120.5613	0.293	6	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.3195	1.938	2	120.3195	3.757	2	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.0910	0.000	1	120.0910	0.000	1	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.8490	0.000	1	118.8490	0.000	1	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.3770	0.000	1	121.0812	1.012	12	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.7950	0.000	1	121.0812	1.012	12	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	121.0740	1.004	2	121.0812	1.012	12	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	120.4320	1.522	2	121.0812	1.012	12	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6915	1.613	2	121.0812	1.012	12	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.1020	0.587	4	121.0812	1.012	12	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.0320	1.342	2	121.0320	1.801	2	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]N)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]N)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5408	0.331	4	120.6410	1.126	6	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]N)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]N)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.8415	2.276	2	120.6410	1.126	6	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)(CH3){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.5310	0.173	2	121.5310	0.030	2	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]S)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]S)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	120.4998	2.254	4	120.5558	3.555	8	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]S)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]S)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6118	1.791	4	120.5558	3.555	8	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]C)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]C)(CCHH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.3005	1.306	2	121.3005	1.706	2	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5]H)(CC[6a]HN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5]H)(CC[6a]HN){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6672	2.084	4	120.6672	4.344	4	120.5744	2.391	74	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]P[5,5]H)(C[5]N[5]CH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(N[5]P[5,5]H)(C[5]N[5]CH){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9901	2.519	8	120.9901	6.347	8	120.9901	6.347	8	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(CBr2H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]C)(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(CBr2H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.0190	1.921	2	120.0190	3.688	2	120.0190	3.688	2	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2415	1.309	2	120.2415	1.713	2	120.2415	1.713	2	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]N[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]N[5]HH){5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8890	1.293	8	120.8890	1.672	8	120.8683	2.801	12	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,4|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)2(C[5]C[5]HH){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8270	2.523	4	120.8270	6.366	4	120.8683	2.801	12	120.8751	3.241	267	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.7015	0.326	2	119.7015	0.106	2	120.8335	5.421	4	120.9856	4.181	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]O)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|O<2>,3|C<3>}	121.9655	3.321	2	121.9655	11.031	2	120.8335	5.421	4	120.9856	4.181	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5940	0.000	1	121.5940	0.000	1	121.5940	0.000	1	120.9856	4.181	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,2|H<1>,3|C<3>}	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.1660	0.311	5	123.1660	0.097	5	123.5533	0.978	6	123.5533	0.978	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	125.4900	0.000	1	125.4900	0.000	1	123.5533	0.978	6	123.5533	0.978	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2	C[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2{1|H<1>,2|C<3>,2|F<1>,3|C<4>}	C[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|B<3>,2|F<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<3>,1|C<3>,1|C<4>,1|H<1>,2|F<1>}	122.1640	1.383	2	122.1640	1.913	2	122.1640	1.913	2	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8020	2.671	2	120.8020	7.137	2	120.8020	7.137	2	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.5400	0.000	1	120.5400	0.000	1	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7185	3.876	2	120.7185	15.021	2	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8715	0.886	2	120.8715	0.785	2	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1825	0.893	2	121.1825	0.798	2	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6635	1.372	2	119.6635	1.884	2	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6690	1.792	2	120.6690	3.211	2	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7625	1.047	2	120.7625	1.097	2	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.0220	1.452	2	121.0220	2.109	2	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1245	0.634	2	121.1245	0.402	2	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5855	1.380	2	120.9249	1.640	16	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5920	1.721	2	120.9249	1.640	16	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0375	1.443	10	120.9249	1.640	16	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0340	0.632	2	120.9249	1.640	16	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7065	0.104	2	120.7065	0.011	2	120.8223	1.573	35	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.2697	0.617	3	120.2697	0.380	3	120.2697	0.380	3	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	120.1870	0.000	1	120.1870	0.000	1	120.1870	0.000	1	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.0653	0.470	3	120.0653	0.221	3	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.9660	0.000	1	121.9660	0.000	1	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.7975	1.372	2	120.7032	0.864	4	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6090	0.820	2	120.7032	0.864	4	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4483	1.167	4	120.4483	1.363	4	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.7110	1.464	2	120.7110	2.142	2	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5665	2.573	2	120.5665	6.621	2	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1470	0.717	2	120.8212	0.366	6	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6582	0.577	4	120.8212	0.366	6	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	119.6090	0.000	1	119.6090	0.000	1	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0310	0.000	1	120.9392	0.475	5	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0165	1.322	2	120.9392	0.475	5	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.8160	0.321	2	120.9392	0.475	5	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	121.0225	0.370	2	121.0225	0.137	2	120.6867	0.849	30	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	120.2360	0.000	1	120.2360	0.000	1	120.2360	0.000	1	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	123.9530	0.000	1	123.9530	0.000	1	122.8220	1.767	4	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	122.4450	1.341	3	122.4450	1.798	3	122.8220	1.767	4	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	123.2780	0.000	1	123.2780	0.000	1	123.2780	0.000	1	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(F)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]F)2{1|Cl<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(F){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	122.3850	0.000	1	122.3850	0.000	1	122.4090	0.001	2	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]F)2{1|Cl<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	122.4330	0.000	1	122.4330	0.000	1	122.4090	0.001	2	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	120.8200	0.000	1	120.8200	0.000	1	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	119.2440	0.000	1	119.2440	0.000	1	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	119.8027	0.765	3	119.8027	0.585	3	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.6505	0.243	2	117.6505	0.059	2	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	120.4750	0.000	1	120.4750	0.000	1	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	119.8980	0.000	1	119.8980	0.000	1	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9642	0.295	4	121.2562	0.373	8	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.5482	0.745	4	121.2562	0.373	8	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0345	3.012	2	121.0345	9.070	2	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.1455	2.320	2	121.1455	5.382	2	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7580	0.000	1	120.9276	2.112	9	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1470	2.114	2	120.9276	2.112	9	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0445	0.974	2	120.9276	2.112	9	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8765	2.577	2	120.9276	2.112	9	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2270	1.278	2	120.9276	2.112	9	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8660	0.000	1	120.2337	0.336	3	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4175	0.685	2	120.2337	0.336	3	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	119.7340	0.293	2	119.7340	0.086	2	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5470	0.000	1	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|B<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8522	0.365	4	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1130	0.526	4	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7538	0.843	22	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.7747	0.743	6	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0117	1.103	4	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7380	0.300	2	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.7770	0.011	2	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2350	3.185	2	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5215	1.348	2	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0390	0.652	2	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9622	0.463	6	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.5570	0.544	2	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7780	0.069	2	120.9140	0.661	61	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8700	0.000	1	119.8700	0.000	1	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5250	1.957	2	120.5250	3.831	2	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3270	0.481	4	120.3270	0.232	4	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6795	3.094	2	120.6795	9.570	2	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0215	1.416	2	120.9140	0.905	4	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8065	0.814	2	120.9140	0.905	4	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5460	0.723	2	120.5460	0.522	2	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6395	2.050	2	120.9705	0.789	12	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8331	0.683	8	120.9705	0.789	12	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8510	0.373	2	120.9705	0.789	12	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.5190	2.988	2	120.5190	8.930	2	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7010	1.351	2	120.7010	1.824	2	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2650	0.305	2	121.2650	0.093	2	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5400	2.363	2	120.5400	5.584	2	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,3|O<2>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.9453	2.267	4	119.9453	5.140	4	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0995	1.428	16	121.0532	1.826	18	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6825	0.350	2	121.0532	1.826	18	120.7751	1.342	153	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]S[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(S[5]C[5]OO)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|S<4>,2|C<3>,2|H<1>}	120.4705	1.845	2	120.4705	3.403	2	120.4705	3.403	2	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7170	0.072	2	120.6835	0.108	4	120.6489	1.953	28	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6500	0.560	2	120.6835	0.108	4	120.6489	1.953	28	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4510	3.067	2	120.4510	9.409	2	120.6489	1.953	28	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6405	1.142	2	120.7074	2.721	12	120.6489	1.953	28	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6210	1.865	4	120.7074	2.721	12	120.6489	1.953	28	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8350	1.440	4	120.7074	2.721	12	120.6489	1.953	28	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6920	3.445	2	120.7074	2.721	12	120.6489	1.953	28	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|P<4>,5|H<1>}	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6045	1.198	10	120.6045	1.436	10	120.6489	1.953	28	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4155	3.659	2	120.4155	13.390	2	120.4155	13.390	2	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.1000	0.000	1	122.1000	0.000	1	122.1000	0.000	1	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.0230	0.000	1	119.0230	0.000	1	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2820	0.000	1	120.2820	0.000	1	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.0320	0.000	1	122.0320	0.000	1	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4410	0.000	1	121.4410	0.000	1	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.9990	0.000	1	123.9990	0.000	1	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7720	0.504	4	120.7720	0.254	4	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ir<6>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6075	1.910	2	121.0699	4.170	10	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ni<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9630	1.885	4	121.0699	4.170	10	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4080	2.726	4	121.0699	4.170	10	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3505	0.313	4	120.3505	0.098	4	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3610	2.752	2	120.8895	2.917	20	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5930	3.227	2	120.8895	2.917	20	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5470	1.090	2	120.8895	2.917	20	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9897	1.774	12	120.8895	2.917	20	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4560	0.520	2	120.8895	2.917	20	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1075	1.760	2	121.1075	3.098	2	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9525	1.457	2	120.5926	3.346	8	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4727	2.047	6	120.5926	3.346	8	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7380	1.055	2	120.3981	3.286	14	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1015	0.060	2	120.3981	3.286	14	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6668	2.159	4	120.3981	3.286	14	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2045	2.311	6	120.3981	3.286	14	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.9110	0.000	1	121.9110	0.000	1	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4130	0.841	2	120.5506	2.816	25	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7260	0.454	2	120.5506	2.816	25	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6160	1.870	8	120.5506	2.816	25	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7267	1.341	4	120.5506	2.816	25	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5115	2.203	2	120.5506	2.816	25	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2373	3.077	4	120.5506	2.816	25	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3840	0.000	1	120.5506	2.816	25	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6475	1.688	2	120.5506	2.816	25	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7220	0.918	2	120.7763	1.497	4	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8305	1.907	2	120.7763	1.497	4	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3980	1.428	2	120.3980	2.040	2	120.7259	2.653	99	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6205	3.078	2	120.6898	2.098	6	120.6283	2.077	18	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8760	0.011	2	120.6898	2.098	6	120.6283	2.077	18	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5730	0.953	2	120.6898	2.098	6	120.6283	2.077	18	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6095	1.524	2	120.6532	2.137	8	120.6283	2.077	18	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6678	1.589	6	120.6532	2.137	8	120.6283	2.077	18	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6620	2.049	2	120.6620	4.199	2	120.6283	2.077	18	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.3105	2.330	2	120.3105	5.429	2	120.6283	2.077	18	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7707	2.302	6	120.7707	5.299	6	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0975	1.682	2	120.8663	4.606	4	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6350	3.282	2	120.8663	4.606	4	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8465	4.057	2	120.8465	16.457	2	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7320	1.054	2	120.7320	1.110	2	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9572	1.802	18	120.9095	3.541	26	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9205	3.156	2	120.9095	3.541	26	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9935	2.409	4	120.9095	3.541	26	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3005	2.259	2	120.9095	3.541	26	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|Ge<2>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3629	1.118	20	120.3784	0.969	28	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|Ge<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5233	0.781	4	120.3784	0.969	28	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|Ge<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3113	0.407	4	120.3784	0.969	28	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|S<4>,3|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3320	2.448	2	120.3320	5.993	2	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5410	1.636	2	120.8805	2.441	6	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0503	1.749	4	120.8805	2.441	6	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5600	0.267	2	120.6868	2.244	10	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7185	1.694	8	120.6868	2.244	10	120.6779	2.537	86	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	117.6620	0.000	1	117.6620	0.000	1	117.6620	0.000	1	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1390	0.074	2	121.6693	0.664	3	121.6693	0.664	3	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7300	0.000	1	121.6693	0.664	3	121.6693	0.664	3	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.9780	0.000	1	122.9780	0.000	1	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.3970	0.021	2	123.3970	0.000	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.4090	0.000	1	118.4090	0.000	1	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3460	0.000	1	117.6640	5.658	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	115.9820	0.000	1	117.6640	5.658	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9445	0.016	2	121.2457	0.272	3	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.8480	0.000	1	121.2457	0.272	3	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	116.1450	0.000	1	120.7505	42.421	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	125.3560	0.000	1	120.7505	42.421	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.9765	0.110	2	122.9765	0.012	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4030	1.211	6	120.4030	1.467	6	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4645	0.669	4	120.4645	0.448	4	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7132	1.140	10	120.6712	2.285	12	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4610	3.651	2	120.6712	2.285	12	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9320	0.180	2	120.9320	0.032	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4065	0.810	2	120.4065	0.656	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5247	0.976	4	120.6867	3.880	10	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7947	2.525	6	120.6867	3.880	10	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.1423	1.356	4	120.1423	1.840	4	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5500	2.654	2	120.5618	3.941	6	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5678	2.054	4	120.5618	3.941	6	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6275	0.047	2	120.5699	2.004	14	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4835	1.565	8	120.5699	2.004	14	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4785	2.518	2	120.5699	2.004	14	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9490	1.479	2	120.5699	2.004	14	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5810	1.616	8	120.5810	2.610	8	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|N<2>,4|H<1>}	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1705	0.579	2	121.1705	0.335	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]P[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[5]P[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6445	2.009	2	120.6445	4.036	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7125	3.925	2	120.7125	15.407	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7720	4.646	2	120.8491	2.450	34	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.7905	1.556	22	120.8491	2.450	34	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9805	1.150	4	120.8491	2.450	34	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0855	1.993	2	120.8491	2.450	34	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9603	0.224	4	120.8491	2.450	34	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8220	2.118	2	120.8220	4.488	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4875	2.193	2	120.5362	2.405	9	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3700	0.000	1	120.5362	2.405	9	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5802	1.696	6	120.5362	2.405	9	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9830	0.000	1	120.9830	0.000	1	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5485	2.783	4	120.5485	7.747	4	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8940	2.253	8	120.8940	5.077	8	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8215	3.876	2	120.5645	2.847	18	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3275	1.744	2	120.5645	2.847	18	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6255	3.219	2	120.5645	2.847	18	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4835	2.853	2	120.5645	2.847	18	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6518	1.741	4	120.5645	2.847	18	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8170	0.491	2	120.5645	2.847	18	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2230	0.931	2	120.5645	2.847	18	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4790	0.980	2	120.5645	2.847	18	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3470	6.061	2	120.3470	36.740	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7405	1.918	2	120.6390	2.584	10	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6088	0.711	4	120.6390	2.584	10	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6185	2.452	4	120.6390	2.584	10	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5820	2.990	2	120.7863	5.389	14	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3995	3.188	2	120.7863	5.389	14	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9045	2.367	10	120.7863	5.389	14	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9120	0.943	2	120.9120	0.890	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7600	0.399	2	120.7600	0.159	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5165	3.570	2	120.5165	12.746	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0630	0.537	2	121.0630	0.289	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|F<1>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.5730	0.000	1	117.5730	0.000	1	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|F<1>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.0850	0.000	1	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.2933	0.429	4	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8077	1.761	4	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.7025	0.255	2	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1200	1.915	2	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.9680	1.488	2	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6030	0.959	2	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.7719	1.361	16	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8205	1.425	22	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.3950	1.553	8	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1592	0.472	6	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6863	1.292	4	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4395	3.034	2	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.4325	0.084	2	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2523	3.635	6	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0210	3.941	2	120.9510	2.691	85	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	121.1200	0.472	4	120.0853	2.725	6	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.0160	0.337	2	120.0853	2.725	6	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1230	3.773	2	120.7818	3.839	6	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5810	2.104	2	120.7818	3.839	6	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6415	0.424	2	120.7818	3.839	6	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5440	0.342	2	120.4097	0.105	6	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.1900	0.420	2	120.4097	0.105	6	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4950	0.288	2	120.4097	0.105	6	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0883	0.898	4	121.0883	0.807	4	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3000	2.217	2	120.3000	4.917	2	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5317	1.890	12	120.5317	3.573	12	120.7399	2.983	319	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|H<1>,2|N<3>}	120.0000	0.000	1	120.0000	0.000	1	120.0000	0.000	1	120.7549	2.375	795	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NS)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NS){1|C<4>,2|C<3>,3|H<1>}	122.1330	0.000	1	122.1330	0.000	1	122.1330	0.000	1	120.8318	4.455	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.5298	0.764	6	121.5298	0.584	6	121.5298	0.584	6	120.8318	4.455	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	120.8318	4.455	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7160	0.000	1	120.2155	0.499	2	119.7687	0.848	3	120.8318	4.455	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7150	0.000	1	120.2155	0.499	2	119.7687	0.848	3	120.8318	4.455	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.8750	0.000	1	118.8750	0.000	1	119.7687	0.848	3	120.8318	4.455	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.8600	0.000	1	121.4305	39.241	2	120.0752	15.645	4	120.8318	4.455	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.0010	0.000	1	121.4305	39.241	2	120.0752	15.645	4	120.8318	4.455	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.7200	0.588	2	118.7200	0.346	2	120.0752	15.645	4	120.8318	4.455	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<4>,3|H<1>}	123.6150	0.000	1	123.6150	0.000	1	123.6150	0.000	1	123.6150	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[5]HN)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[5]HN){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.7885	0.264	2	124.7885	0.070	2	124.7885	0.070	2	121.4603	9.906	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]C)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]C)2{1|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ir<6>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.8515	1.542	2	119.8515	2.378	2	119.8515	2.378	2	121.4603	9.906	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.4350	0.124	2	117.4350	0.015	2	120.7726	11.776	5	121.4603	9.906	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9220	0.000	1	120.9220	0.000	1	120.7726	11.776	5	121.4603	9.906	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.3570	0.000	1	125.3570	0.000	1	120.7726	11.776	5	121.4603	9.906	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.7140	0.000	1	122.7140	0.000	1	120.7726	11.776	5	121.4603	9.906	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.9875	1.722	2	120.9875	2.965	2	120.9875	2.965	2	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4655	0.343	2	120.4655	0.118	2	120.4655	0.118	2	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(CN){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	122.6190	0.000	1	122.6190	0.000	1	122.6190	0.000	1	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(CN){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	117.5090	0.000	1	117.5090	0.000	1	117.5090	0.000	1	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(OH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	120.7000	0.761	2	120.7000	0.579	2	120.7800	1.856	10	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC){1|C<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7720	1.667	2	120.7720	2.780	2	120.7800	1.856	10	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9540	1.853	4	120.9540	3.435	4	120.7800	1.856	10	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5200	1.665	2	120.5200	2.771	2	120.7800	1.856	10	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[6]O[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[6]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(O[5]C[5]){2|C<4>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4820	0.503	2	121.4820	0.253	2	121.4820	0.253	2	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5050	0.621	2	120.5050	0.385	2	120.4855	2.266	12	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7555	1.662	2	120.6623	6.367	4	120.4855	2.266	12	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.5690	4.038	2	120.6623	6.367	4	120.4855	2.266	12	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4285	0.969	2	120.4285	0.940	2	120.4855	2.266	12	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3275	1.193	4	120.3275	1.423	4	120.4855	2.266	12	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C-4:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.8645	2.723	2	120.8645	7.415	2	120.8645	7.415	2	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]P[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]P[5]){6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.7750	3.143	4	120.7750	9.876	4	121.0459	4.262	16	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5]){5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.2939	2.141	8	121.2939	4.584	8	121.0459	4.262	16	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(N[5]C[5]){1|N<3>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,2|C<3>}	120.8210	0.638	4	120.8210	0.407	4	121.0459	4.262	16	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.0410	0.364	4	120.2828	2.830	6	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.7665	2.618	2	120.2828	2.830	6	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9447	1.317	4	120.9829	2.725	8	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0210	2.150	4	120.9829	2.725	8	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.5830	1.808	4	120.5830	3.269	4	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8200	0.399	4	121.0821	1.615	16	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.3949	1.657	8	121.0821	1.615	16	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){1|O<2>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.7185	0.990	4	121.0821	1.615	16	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]O[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]O[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5970	1.923	4	120.5970	3.699	4	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	121.1123	0.988	4	121.3176	0.688	8	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.5230	0.718	4	121.3176	0.688	8	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7389	1.136	8	120.7389	1.290	8	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]B[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]B[5]){1|Ir<8>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8443	2.650	4	120.8443	7.021	4	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	120.7265	1.235	8	120.6675	4.262	48	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.0005	2.281	4	120.6675	4.262	48	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7075	1.703	8	120.6675	4.262	48	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5670	3.324	4	120.6675	4.262	48	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5958	2.284	24	120.6675	4.262	48	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(O[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7023	1.524	16	120.7023	2.322	16	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]S[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|S<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]S[5]){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5160	1.070	4	120.5160	1.145	4	120.7680	2.870	126	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(S[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(S[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.1887	3.319	4	121.1887	11.014	4	121.1887	11.014	4	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<4>,2|C<3>,2|H<1>}	120.4193	2.174	4	120.4193	4.726	4	120.4193	4.726	4	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6560	0.462	2	120.6560	0.214	2	120.3975	3.053	4	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(CN[5a]HH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(CN[5a]HH)(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1390	2.946	2	120.1390	8.678	2	120.3975	3.053	4	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.9980	1.884	2	120.6397	5.325	4	120.6397	5.325	4	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2815	3.451	2	120.6397	5.325	4	120.6397	5.325	4	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	121.7105	1.450	2	121.7105	2.103	2	121.1005	1.415	4	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4905	0.808	2	120.4905	0.653	2	121.1005	1.415	4	120.7723	2.961	194	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.9335	0.740	4	119.9335	0.547	4	119.9335	0.547	4	119.9335	0.547	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.5840	3.097	2	122.5840	9.592	2	122.5840	9.592	2	122.5840	9.592	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CC)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CC)(COO){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	121.0145	1.578	2	121.0145	2.489	2	121.0145	2.489	2	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.8445	1.191	2	120.8445	1.420	2	120.8445	1.420	2	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)(COO){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7535	2.128	2	120.7535	4.527	2	120.8129	1.375	8	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9605	0.890	2	120.9605	0.793	2	120.8129	1.375	8	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9345	1.941	2	120.9345	3.768	2	120.8129	1.375	8	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(COO){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6030	0.610	2	120.6030	0.372	2	120.8129	1.375	8	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3570	1.786	2	121.3570	3.190	2	120.9657	3.960	4	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]O[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]O[5]O){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5745	2.842	2	120.5745	8.076	2	120.9657	3.960	4	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(OAlNi)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(OAlNi){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<3>,2|C<3>,2|H<1>}	121.1435	1.555	2	121.1435	2.418	2	121.1435	2.418	2	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(C[5]O[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(C[5]O[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9045	0.807	2	120.9045	0.651	2	120.9045	0.651	2	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	121.1080	3.571	2	121.1080	12.751	2	121.1080	12.751	2	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.4240	0.000	1	121.4240	0.000	1	121.0079	3.872	30	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7885	1.340	2	120.9114	3.774	14	121.0079	3.872	30	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9319	2.072	12	120.9114	3.774	14	121.0079	3.872	30	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1186	2.313	7	120.9772	5.439	11	121.0079	3.872	30	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7297	2.702	4	120.9772	5.439	11	121.0079	3.872	30	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(C[5]C[5]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3263	1.646	4	121.3263	2.708	4	121.0079	3.872	30	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(N[5]C[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(N[5]C[5]H){6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8079	0.888	8	120.8079	0.788	8	120.7472	1.183	12	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(N[5]S[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<4>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(N[5]S[5]H){2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.8510	1.714	2	120.6257	2.467	4	120.7472	1.183	12	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(N[5]S[5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<4>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(N[5]S[5]H){2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4005	2.064	2	120.6257	2.467	4	120.7472	1.183	12	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9700	0.263	2	120.9700	0.069	2	120.9443	5.662	6	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8240	5.081	2	120.8240	25.819	2	120.9443	5.662	6	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0390	1.540	2	121.0390	2.372	2	120.9443	5.662	6	120.9324	2.837	70	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	120.9930	0.000	1	120.9930	0.000	1	120.9930	0.000	1	120.9930	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(Br)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	123.8790	0.000	1	123.8790	0.000	1	123.8790	0.000	1	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){2|Br<1>,2|C<3>,2|C<4>}	120.0880	0.000	1	120.0880	0.000	1	120.9518	1.801	56	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	121.4500	0.000	1	120.7803	0.886	7	120.9518	1.801	56	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	120.6687	0.979	6	120.7803	0.886	7	120.9518	1.801	56	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.5673	0.761	3	120.9850	1.587	35	120.9518	1.801	56	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9802	3.808	4	120.9850	1.587	35	120.9518	1.801	56	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.9615	0.090	2	120.9850	1.587	35	120.9518	1.801	56	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9310	0.580	25	120.9850	1.587	35	120.9518	1.801	56	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.6560	0.000	1	120.9850	1.587	35	120.9518	1.801	56	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.9293	0.894	3	119.9293	0.800	3	120.9518	1.801	56	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.2485	2.504	4	121.3489	3.606	10	120.9518	1.801	56	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4023	1.815	4	121.3489	3.606	10	120.9518	1.801	56	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4430	1.921	2	121.3489	3.606	10	120.9518	1.801	56	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HN){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0050	1.570	4	121.0050	2.465	4	121.0018	4.678	36	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|O<2>,5|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0955	3.215	4	121.0955	10.339	4	121.0018	4.678	36	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0468	2.815	8	121.0100	4.588	24	121.0018	4.678	36	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9333	2.055	8	121.0100	4.588	24	121.0018	4.678	36	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9582	1.813	4	121.0100	4.588	24	121.0018	4.678	36	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|Ir<8>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1418	1.872	4	121.0100	4.588	24	121.0018	4.678	36	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)2{1|N<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8560	2.562	4	120.8560	6.563	4	121.0018	4.678	36	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[3,5]C[5]C)(C[6a]C[6a]H)2	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]FF)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[3,5]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|F<1>,2|H<1>,3|C<4>}	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]FF)(CF3){1|C<4>,2|H<1>,3|C<3>,3|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.1605	1.542	2	120.1605	2.378	2	120.1605	2.378	2	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	123.9710	0.000	1	123.9710	0.000	1	121.9563	3.779	3	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.9490	1.212	2	120.9490	1.469	2	121.9563	3.779	3	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]O[5]HH)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]O[5]HH)(CCHH){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7500	2.004	2	120.7500	4.016	2	120.7500	4.016	2	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|N<2>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1290	0.918	2	121.1290	0.842	2	121.1290	0.842	2	121.0117	2.874	102	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl)	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.6700	0.000	1	122.7207	0.053	3	122.7207	0.053	3	121.5736	1.839	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl)	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.7460	0.320	2	122.7207	0.053	3	122.7207	0.053	3	121.5736	1.839	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[6a]-2:F-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]F)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(F)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]F){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.8480	0.000	2	122.8480	0.000	2	122.8480	0.000	2	121.5736	1.839	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.4510	0.000	1	120.4260	0.674	4	120.3756	0.518	5	121.5736	1.839	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.7705	0.170	2	120.4260	0.674	4	120.3756	0.518	5	121.5736	1.839	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7120	0.000	1	120.4260	0.674	4	120.3756	0.518	5	121.5736	1.839	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1740	0.000	1	120.1740	0.000	1	120.3756	0.518	5	121.5736	1.839	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	121.4525	0.851	2	121.4525	0.724	2	120.8230	1.947	56	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.7480	0.395	2	120.8455	4.168	4	120.8230	1.947	56	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){1|B<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.9430	3.509	2	120.8455	4.168	4	120.8230	1.947	56	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.0000	4.035	2	120.0000	16.279	2	120.8230	1.947	56	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	121.2755	0.114	2	121.2755	0.013	2	120.8230	1.947	56	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5,5])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	121.0675	0.408	2	121.0675	0.166	2	120.8230	1.947	56	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.6155	0.654	2	120.5105	0.359	4	120.8230	1.947	56	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.4055	0.779	2	120.5105	0.359	4	120.8230	1.947	56	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.8625	1.053	4	120.8339	1.716	38	120.8230	1.947	56	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.8305	1.350	34	120.8339	1.716	38	120.8230	1.947	56	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.6935	3.122	2	120.6935	9.746	2	120.8230	1.947	56	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	118.9250	0.000	1	118.9250	0.000	1	119.4829	0.366	9	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	119.5207	0.798	4	119.5207	0.638	4	119.4829	0.366	9	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|C<2>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	119.5845	0.467	4	119.5845	0.218	4	119.4829	0.366	9	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(Br)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.3847	2.083	3	121.3847	4.339	3	121.3847	4.339	3	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.6145	0.319	2	122.6145	0.102	2	122.1960	0.335	4	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.4600	0.000	1	121.4600	0.000	1	122.1960	0.335	4	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.0950	0.000	1	122.0950	0.000	1	122.1960	0.335	4	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	118.9110	0.000	1	119.2585	0.242	2	120.7883	2.307	8	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	119.6060	0.000	1	119.2585	0.242	2	120.7883	2.307	8	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5950	0.000	1	120.5950	0.000	1	120.7883	2.307	8	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	121.5050	0.000	1	120.7497	0.826	3	120.7883	2.307	8	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	119.7410	0.000	1	120.7497	0.826	3	120.7883	2.307	8	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0030	0.000	1	120.7497	0.826	3	120.7883	2.307	8	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	122.4725	1.965	2	122.4725	3.861	2	120.7883	2.307	8	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.5973	0.720	4	120.5973	0.519	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|C<2>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.4505	0.631	4	119.4505	0.398	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.4620	1.915	2	119.7155	2.282	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.9690	1.710	2	119.7155	2.282	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	120.0387	2.033	3	120.0387	4.132	3	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.0000	0.000	1	117.1110	2.469	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.2220	0.000	1	117.1110	2.469	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6630	0.000	1	121.6630	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.2720	0.000	1	121.2720	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.7650	0.000	1	119.6520	1.574	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5390	0.000	1	119.6520	1.574	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.7655	0.228	2	120.7655	0.052	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.3040	0.000	1	121.3040	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.8450	0.000	1	120.8450	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	123.1460	0.000	1	123.1460	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	123.2270	0.000	1	123.2270	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	122.2530	0.000	1	122.2530	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	121.6140	0.000	1	121.6140	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	122.3150	0.000	1	122.9350	0.769	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	123.5550	0.000	1	122.9350	0.769	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]F)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]F){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	123.4690	0.000	2	123.4690	0.000	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	121.5670	0.000	1	122.7807	2.064	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	123.9745	0.701	2	122.7807	2.064	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	121.6070	0.000	1	122.7807	2.064	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	122.9280	0.000	1	122.9280	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9145	1.831	2	120.9145	3.351	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7900	0.054	2	120.7900	0.003	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3810	1.680	2	120.6834	1.391	8	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5765	1.246	4	120.6834	1.391	8	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1995	1.223	2	120.6834	1.391	8	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]Si[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7045	0.650	2	120.7045	0.422	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9445	1.094	2	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5845	0.851	2	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.2600	0.280	4	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.2080	0.078	2	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8165	1.721	4	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.4880	0.762	2	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8233	0.337	4	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.0570	0.180	2	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6375	0.506	2	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4123	1.576	4	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4800	1.790	2	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Re<7>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8990	0.552	2	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.2495	2.068	2	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6915	1.307	2	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6582	1.362	12	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1645	0.754	2	120.8391	1.175	50	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.9185	1.581	4	119.6456	1.781	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.9575	0.250	2	119.6456	1.781	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.8678	1.510	4	119.6456	1.781	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.3435	1.054	2	119.6456	1.781	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4163	0.653	4	119.9224	2.006	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9000	2.475	2	119.9224	2.006	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4875	0.988	2	119.9224	2.006	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.6573	1.119	4	119.9224	2.006	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.3252	1.388	4	122.3252	1.927	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4740	0.450	2	120.4740	0.202	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.4151	2.026	8	120.7650	1.780	43	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9520	2.273	2	120.7650	1.780	43	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.3260	0.000	1	120.7650	1.780	43	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5733	1.076	32	120.7650	1.780	43	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.5740	0.000	1	119.5740	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2975	1.831	2	120.2975	3.351	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6840	0.000	1	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5475	0.754	2	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5192	1.725	4	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9870	0.352	2	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6095	1.155	2	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8125	0.540	2	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6115	0.714	4	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7169	1.081	8	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1540	2.690	2	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5780	1.427	2	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8335	0.056	2	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8405	1.077	2	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7870	0.834	2	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1780	1.952	2	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5170	2.085	2	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4840	1.769	2	120.6244	1.124	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5500	0.000	1	120.5500	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6215	0.559	2	120.8637	2.202	21	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.2045	1.076	2	120.8637	2.202	21	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3745	2.727	4	120.8637	2.202	21	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	121.5680	0.000	1	120.8637	2.202	21	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4140	2.181	2	120.8637	2.202	21	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.6740	1.271	2	120.8637	2.202	21	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3675	0.900	2	120.8637	2.202	21	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8215	1.106	4	120.8637	2.202	21	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6110	0.109	2	120.8637	2.202	21	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	118.2450	0.000	1	118.2450	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6880	2.854	2	120.6880	8.145	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.8225	2.101	2	120.7275	3.436	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6325	2.420	2	120.7275	3.436	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0150	0.000	1	121.0150	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.1120	0.000	1	120.4436	2.797	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	120.3020	1.240	8	120.4436	2.797	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4125	1.219	4	120.4436	2.797	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4880	2.312	2	120.4436	2.797	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8120	3.318	2	120.4436	2.797	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4270	0.684	2	120.4436	2.797	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5413	1.012	6	120.4436	2.797	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3585	2.404	4	120.4436	2.797	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5256	1.739	8	120.4436	2.797	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6670	3.349	4	120.4436	2.797	41	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8030	0.905	2	120.8030	0.819	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.9890	0.000	1	121.0941	2.585	15	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8785	0.330	2	121.0941	2.585	15	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6478	1.287	4	121.0941	2.585	15	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.1105	2.222	2	121.0941	2.585	15	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5700	3.107	2	121.0941	2.585	15	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3330	0.356	2	121.0941	2.585	15	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.5235	1.189	2	121.0941	2.585	15	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.7230	0.000	1	117.7230	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3175	2.194	2	120.4788	1.527	6	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3030	0.696	2	120.4788	1.527	6	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8160	1.413	2	120.4788	1.527	6	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.2360	3.640	2	119.2360	13.251	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7555	1.219	33	120.5434	2.642	82	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3400	2.108	4	120.5434	2.642	82	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4735	2.254	2	120.5434	2.642	82	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3785	3.927	2	120.5434	2.642	82	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5615	1.578	2	120.5434	2.642	82	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2420	2.398	4	120.5434	2.642	82	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3793	1.883	26	120.5434	2.642	82	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5330	1.587	2	120.5434	2.642	82	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3218	2.199	4	120.5434	2.642	82	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.8980	0.000	1	120.5434	2.642	82	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1790	1.431	2	120.5434	2.642	82	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.0730	0.000	1	118.0730	0.000	1	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2880	3.847	2	120.4513	4.843	24	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4662	2.144	22	120.4513	4.843	24	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2505	0.103	2	120.3603	1.619	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4700	2.191	2	120.3603	1.619	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4960	0.330	2	120.6666	1.574	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5572	0.368	4	120.6666	1.574	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5655	3.763	2	120.6666	1.574	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.3430	0.229	2	120.6666	1.574	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4805	1.218	2	120.6666	1.574	12	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5935	0.189	2	120.5935	0.036	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4335	1.857	4	120.4611	1.527	10	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8930	0.363	2	120.4611	1.527	10	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2728	0.956	4	120.4611	1.527	10	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|C<2>,3|O<2>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.3835	2.674	2	119.3835	7.148	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<5>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H){2|C<3>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1565	2.829	2	120.1565	8.004	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4835	0.344	2	120.2375	0.247	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.9915	0.617	2	120.2375	0.247	4	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9450	0.086	2	120.9450	0.007	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|O<2>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7170	1.145	8	120.7170	1.310	8	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1000	1.386	2	120.1000	1.921	2	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	122.4940	0.000	1	122.1140	0.138	3	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	121.9240	0.242	2	122.1140	0.138	3	120.6177	2.274	474	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	121.0405	0.260	2	121.0405	0.067	2	121.0405	0.067	2	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.7135	0.435	2	122.7135	0.189	2	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	121.1165	3.118	2	121.1165	9.720	2	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	121.5890	0.000	1	121.5890	0.000	1	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	120.5170	1.797	2	120.3586	1.143	5	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	120.4235	1.042	2	120.3586	1.143	5	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	119.9120	0.000	1	120.3586	1.143	5	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	115.8840	0.000	1	115.8840	0.000	1	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	120.9615	1.066	2	121.3040	6.190	11	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.5712	2.969	4	121.3040	6.190	11	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	125.5770	0.000	1	121.3040	6.190	11	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	121.1397	2.126	4	121.3040	6.190	11	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	121.2495	5.338	2	121.2495	28.494	2	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.6266	4.058	8	120.5624	9.764	20	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.5372	3.147	6	120.5624	9.764	20	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	120.5705	2.710	2	120.5624	9.764	20	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.7280	1.056	2	120.5624	9.764	20	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.2075	3.454	2	120.5624	9.764	20	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	119.6170	0.034	2	119.6170	0.001	2	120.7446	7.348	46	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H){1|Se<1>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,3|H<1>}	121.1335	2.961	2	121.1335	8.765	2	121.2048	3.148	4	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,3|H<1>}	121.2760	0.812	2	121.2760	0.659	2	121.2048	3.148	4	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|W<6>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.7690	0.313	2	120.6003	0.071	4	120.6003	0.071	4	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|W<6>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.4315	0.011	2	120.6003	0.071	4	120.6003	0.071	4	120.6508	2.593	610	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	119.8280	0.949	2	119.8280	0.900	2	119.8280	0.900	2	119.8280	0.900	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.9560	0.000	1	122.9560	0.000	1	122.4370	0.539	2	121.0591	1.895	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.9180	0.000	1	121.9180	0.000	1	122.4370	0.539	2	121.0591	1.895	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	120.2470	0.000	1	120.2470	0.000	1	120.5080	1.378	5	121.0591	1.895	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	120.2680	1.812	2	120.5733	1.809	4	120.5080	1.378	5	121.0591	1.895	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	120.8785	1.331	2	120.5733	1.809	4	120.5080	1.378	5	121.0591	1.895	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCo2C)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCo2C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	125.7710	0.000	1	125.7710	0.000	1	121.2425	9.646	4	121.0350	9.644	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.8750	0.000	1	118.8750	0.000	1	121.2425	9.646	4	121.0350	9.644	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6580	0.000	1	120.1620	0.492	2	121.2425	9.646	4	121.0350	9.644	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.6660	0.000	1	120.1620	0.492	2	121.2425	9.646	4	121.0350	9.644	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]C)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<2>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	120.6200	4.332	2	120.6200	18.764	2	120.6200	18.764	2	121.0350	9.644	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.0500	0.000	1	121.0500	0.000	1	121.0500	0.000	1	121.0500	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.3465	1.562	2	120.3465	2.440	2	120.3465	2.440	2	120.5557	0.939	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	120.6600	0.728	2	120.6600	0.530	2	120.6600	0.530	2	120.5557	0.939	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CC){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5155	2.272	2	120.5155	5.162	2	120.4858	1.921	6	120.5557	0.939	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6065	0.793	2	120.6065	0.628	2	120.4858	1.921	6	120.5557	0.939	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3355	1.934	2	120.3355	3.740	2	120.4858	1.921	6	120.5557	0.939	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	121.3800	0.000	1	121.3800	0.000	1	120.6041	0.659	13	120.5557	0.939	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.4160	1.809	2	120.4160	3.272	2	120.6041	0.659	13	120.5557	0.939	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.2605	0.694	2	120.3065	0.438	4	120.6041	0.659	13	120.5557	0.939	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.3525	0.909	2	120.3065	0.438	4	120.6041	0.659	13	120.5557	0.939	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]Br)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|Br<1>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	120.9400	1.284	2	120.9400	1.649	2	120.6041	0.659	13	120.5557	0.939	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6645	0.121	2	120.6337	0.140	4	120.6041	0.659	13	120.5557	0.939	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6030	0.634	2	120.6337	0.140	4	120.6041	0.659	13	120.5557	0.939	23	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5])(COO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.5075	0.578	2	120.5075	0.334	2	120.5075	0.334	2	120.3981	2.881	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1775	2.508	2	120.1775	6.291	2	120.2120	1.376	6	120.3981	2.881	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3525	0.356	2	120.3525	0.127	2	120.2120	1.376	6	120.3981	2.881	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|C<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(COO){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1060	0.631	2	120.1060	0.398	2	120.2120	1.376	6	120.3981	2.881	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CNO){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.6225	2.831	4	120.6225	8.013	4	120.6225	8.013	4	120.3981	2.881	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.9248	0.822	6	120.8110	1.753	8	120.8110	1.753	8	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,2|C<4>}	120.4695	2.930	2	120.8110	1.753	8	120.8110	1.753	8	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.8500	0.000	1	124.8500	0.000	1	124.8500	0.000	1	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3360	0.000	1	121.3360	0.000	1	121.3360	0.000	1	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.2690	0.000	1	118.2690	0.000	1	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,2|C<4>}	122.1570	0.000	1	122.1570	0.000	1	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	115.7780	0.000	1	116.0105	0.108	2	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	116.2430	0.000	1	116.0105	0.108	2	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.8285	1.795	2	120.8285	3.223	2	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9360	2.093	2	120.9360	4.381	2	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CBrHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CBrHH){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.4840	2.239	2	120.4840	5.012	2	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3450	0.820	2	120.3450	0.673	2	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6750	2.524	2	120.6750	6.372	2	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.0720	2.415	4	120.9803	5.117	6	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7970	2.826	2	120.9803	5.117	6	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7915	2.538	2	120.7915	6.440	2	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3130	1.843	2	120.3130	3.396	2	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.7380	0.000	1	119.7380	0.000	1	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6050	0.000	1	121.6050	0.000	1	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(CH3){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9350	1.499	2	119.9350	2.247	2	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3910	0.658	2	120.3910	0.432	2	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|P<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.4770	2.111	2	120.4770	4.458	2	120.3132	3.679	32	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CF3){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	120.6315	2.041	2	120.6315	4.167	2	120.6315	4.167	2	120.5446	3.533	44	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.5050	0.000	1	125.2415	0.139	2	125.2415	0.139	2	125.2415	0.139	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.9780	0.000	1	125.2415	0.139	2	125.2415	0.139	2	125.2415	0.139	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.8005	0.296	4	119.8005	0.087	4	120.0672	0.421	5	120.0672	0.421	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<3>,1|N<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1340	0.000	1	121.1340	0.000	1	120.0672	0.421	5	120.0672	0.421	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7570	0.434	2	120.7570	0.188	2	120.7570	0.188	2	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1995	2.443	2	121.1995	5.969	2	121.2182	1.631	6	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4080	0.144	2	121.4080	0.021	2	121.2182	1.631	6	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0470	1.427	2	121.0470	2.036	2	121.2182	1.631	6	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0390	0.000	1	121.0390	0.000	1	120.7080	0.219	2	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	120.3770	0.000	1	120.3770	0.000	1	120.7080	0.219	2	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.4955	3.194	2	122.4955	10.202	2	121.5445	4.210	6	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0690	1.647	4	121.0690	2.711	4	121.5445	4.210	6	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H){1|C<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.9280	0.000	1	118.9280	0.000	1	118.9280	0.000	1	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	119.4600	0.000	1	119.4600	0.000	1	120.7944	1.715	16	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8610	2.632	2	120.8610	6.927	2	120.7944	1.715	16	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.4280	0.000	1	120.8696	1.194	11	120.7944	1.715	16	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8780	0.178	2	120.8696	1.194	11	120.7944	1.715	16	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6330	1.031	2	120.8696	1.194	11	120.7944	1.715	16	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6320	1.618	2	120.8696	1.194	11	120.7944	1.715	16	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8965	2.063	2	120.8696	1.194	11	120.7944	1.715	16	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0295	1.839	2	120.8696	1.194	11	120.7944	1.715	16	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(H){1|O<2>,1|S<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9815	2.221	2	120.9815	4.933	2	120.7944	1.715	16	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7630	0.264	2	120.7630	0.070	2	120.9137	0.501	4	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0645	1.159	2	121.0645	1.343	2	120.9137	0.501	4	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	124.1790	0.000	1	124.1790	0.000	1	124.1790	0.000	1	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.1360	0.000	1	121.1360	0.000	1	121.1360	0.000	1	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	119.3390	0.000	1	119.3390	0.000	1	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])2(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	121.9230	1.062	2	121.9230	1.128	2	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,3|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	121.0045	1.011	4	121.0045	1.022	4	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.7140	0.000	1	118.7140	0.000	1	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.5360	0.000	1	121.5360	0.000	1	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7400	2.820	2	120.7400	7.952	2	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2440	0.014	2	121.2440	0.000	2	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.5530	0.696	2	121.5530	0.484	2	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9180	0.667	6	120.9180	0.445	6	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1030	0.269	2	121.1030	0.072	2	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0750	2.253	2	121.0750	5.075	2	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7905	3.234	2	120.7905	10.456	2	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5700	1.519	2	120.5700	2.307	2	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9080	3.370	2	120.9080	11.357	2	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1013	0.908	6	121.1354	0.879	14	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9700	1.262	4	121.1354	0.879	14	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8830	0.967	2	121.1354	0.879	14	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.8210	0.402	2	121.1354	0.879	14	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8365	1.595	2	120.8365	2.543	2	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9650	0.802	2	120.9650	0.643	2	120.9883	1.467	49	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,3|H<1>}	121.5670	1.159	4	121.5670	1.343	4	121.5670	1.343	4	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	119.4660	0.000	1	119.4660	0.000	1	119.7038	0.205	6	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	119.5490	0.000	1	119.5490	0.000	1	119.7038	0.205	6	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<2>,2|C<4>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	119.8020	0.550	4	119.8020	0.303	4	119.7038	0.205	6	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]C){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	117.9600	0.000	1	117.9600	0.000	1	122.0703	7.885	4	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.8670	0.000	1	122.8670	0.000	1	122.0703	7.885	4	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.1630	0.000	1	123.1630	0.000	1	122.0703	7.885	4	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.2910	0.000	1	124.2910	0.000	1	122.0703	7.885	4	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|Cl<1>,1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.5170	0.980	2	122.5170	0.960	2	121.9219	1.351	7	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1470	0.899	3	121.1470	0.809	3	121.9219	1.351	7	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.4890	1.541	2	122.4890	2.376	2	121.9219	1.351	7	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.0770	0.000	1	120.0770	0.000	1	120.0770	0.000	1	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0170	0.000	1	121.0170	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4780	0.000	1	120.4780	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<2>,2|C<4>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.7758	0.662	4	119.7758	0.438	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.5530	0.000	1	124.5530	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	124.2890	0.000	1	124.2890	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.7830	0.000	1	121.7830	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ir<6>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.0540	0.000	1	116.0540	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3100	0.000	1	120.3100	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.7170	0.000	1	119.7170	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.4720	0.000	1	118.4720	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7380	0.000	1	120.7380	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.5390	0.000	1	119.5390	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.3140	0.000	1	120.3140	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.6663	3.107	3	118.6663	9.651	3	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|Cl<1>,1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.4785	0.295	2	119.4785	0.087	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.7897	0.839	3	121.7897	0.704	3	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	123.3820	0.000	1	123.3820	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.0800	0.000	1	119.0800	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.9200	0.074	2	121.9200	0.005	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	119.5900	0.000	1	121.7753	3.958	3	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.4810	0.000	1	121.7753	3.958	3	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.2550	0.000	1	121.7753	3.958	3	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.6320	0.000	1	118.6320	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.9610	0.000	1	121.9610	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	122.5832	0.477	4	122.5832	0.228	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<3>,1|N<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.3270	0.000	1	121.3270	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8415	0.507	2	120.8415	0.257	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9785	2.744	2	120.6014	2.410	15	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2680	1.592	2	120.6014	2.410	15	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8555	2.452	2	120.6014	2.410	15	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2665	2.485	2	120.6014	2.410	15	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7095	0.779	2	120.6014	2.410	15	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,1|I<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.0510	0.000	1	120.6014	2.410	15	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9525	0.482	2	120.6014	2.410	15	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9545	2.621	2	120.6014	2.410	15	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,1|I<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.9070	0.000	1	121.9070	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4470	1.019	4	121.3864	2.406	8	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1715	3.106	2	121.3864	2.406	8	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4800	1.987	2	121.3864	2.406	8	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1380	0.000	1	121.1380	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.0400	0.000	1	120.3162	2.524	19	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2817	1.734	6	120.3162	2.524	19	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3795	1.842	2	120.3162	2.524	19	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3970	2.919	2	120.3162	2.524	19	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2490	2.403	2	120.3162	2.524	19	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5662	1.240	4	120.3162	2.524	19	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9805	2.739	2	120.3162	2.524	19	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6773	1.673	10	120.7098	2.917	44	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7967	2.170	6	120.7098	2.917	44	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4450	2.436	8	120.7098	2.917	44	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.3498	1.719	4	120.7098	2.917	44	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9779	1.325	12	120.7098	2.917	44	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6690	1.112	2	120.7098	2.917	44	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8225	1.927	2	120.7098	2.917	44	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|F<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.7370	0.000	1	120.1840	4.188	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.6310	0.000	1	120.1840	4.188	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.3730	0.235	2	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0380	0.151	2	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1553	0.474	3	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|F<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.7210	0.000	1	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7370	0.000	1	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.0020	0.000	1	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0620	2.731	4	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1960	0.006	2	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|P<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.1850	1.761	2	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3885	0.568	2	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2287	1.372	4	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3130	4.281	2	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2355	2.948	2	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7670	2.703	2	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9870	0.964	2	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2355	1.856	2	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2275	0.614	2	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5394	1.943	14	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5740	1.973	2	120.7631	2.664	52	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.7020	0.000	1	121.7020	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5154	0.993	8	120.5154	0.986	8	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9415	2.580	2	120.6733	2.834	26	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0865	1.617	2	120.6733	2.834	26	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9773	0.112	6	120.6733	2.834	26	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4310	1.860	2	120.6733	2.834	26	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.4695	0.756	2	120.6733	2.834	26	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2965	0.535	2	120.6733	2.834	26	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6465	3.758	2	120.6733	2.834	26	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3590	2.881	4	120.6733	2.834	26	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6160	2.327	4	120.6733	2.834	26	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8185	1.858	2	120.7800	2.365	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7130	1.499	2	120.7800	2.365	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8085	2.473	2	120.7800	2.365	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6810	1.981	2	120.7815	2.134	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8317	1.496	4	120.7815	2.134	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3915	2.999	2	120.3915	8.993	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]O[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8796	2.272	11	120.8796	5.162	11	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1470	0.000	1	121.7650	0.292	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3830	0.000	1	121.7650	0.292	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.6150	0.000	1	119.2065	0.700	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7980	0.000	1	119.2065	0.700	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6335	1.555	2	120.6335	2.418	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6350	1.097	4	120.6350	1.203	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6285	2.327	2	120.6285	5.415	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0443	2.067	4	121.0443	4.274	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,3|H<1>}	119.2150	0.000	1	119.2150	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5635	0.673	4	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|I<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2580	0.632	2	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6850	0.764	2	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9995	1.740	4	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7500	0.757	2	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9285	0.465	4	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.1790	0.000	1	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4271	0.853	8	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.7875	1.296	2	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3784	2.463	12	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9750	0.694	2	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8070	1.888	2	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4230	1.496	2	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8075	0.035	2	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6555	1.576	2	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7498	2.562	4	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.5475	2.259	2	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4171	2.819	12	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5032	4.150	4	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9795	1.935	2	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.2400	0.000	1	120.6146	3.737	76	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.7620	0.000	1	120.7040	3.177	3	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.6750	0.042	2	120.7040	3.177	3	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8713	0.674	6	120.6994	1.012	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2865	1.382	2	120.6994	1.012	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|H<1>}	120.5965	2.094	2	120.6994	1.012	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<8>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6060	1.533	2	120.6060	2.350	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5021	1.857	16	120.5021	3.449	16	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4745	0.165	2	120.5590	0.250	8	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4168	0.447	4	120.5590	0.250	8	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9280	0.871	2	120.5590	0.250	8	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Rh<8>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5935	0.562	2	120.5935	0.316	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9400	1.380	4	120.7513	4.291	24	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	121.5140	2.915	2	120.7513	4.291	24	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8705	3.608	2	120.7513	4.291	24	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6060	1.376	2	120.7513	4.291	24	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1925	2.960	4	120.7513	4.291	24	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.6020	1.612	2	120.7513	4.291	24	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8640	3.741	2	120.7513	4.291	24	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7775	1.651	2	120.7513	4.291	24	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7815	3.928	2	120.7513	4.291	24	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7355	2.419	2	120.7513	4.291	24	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5785	1.554	2	120.5730	5.852	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5675	3.891	2	120.5730	5.852	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.1450	0.000	1	120.1450	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.3465	0.879	2	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7155	2.050	2	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6785	2.238	2	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8110	0.000	1	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.4300	0.000	1	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	122.4150	0.000	1	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.2407	0.974	4	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1385	0.655	2	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5475	0.608	4	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.5705	1.440	20	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9380	1.385	34	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6335	1.354	22	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.0195	1.021	6	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0315	1.361	10	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9784	0.693	14	120.8395	1.560	125	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6780	0.000	1	119.8517	1.346	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	119.0150	0.000	1	119.8517	1.346	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.4670	1.475	2	119.8517	1.346	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7415	0.446	2	119.8517	1.346	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.6960	0.000	1	120.6344	6.065	7	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.0902	2.611	4	120.6344	6.065	7	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6920	3.239	2	120.6344	6.065	7	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.4930	0.000	1	118.4930	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3130	1.003	2	121.1160	0.407	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9190	0.243	2	121.1160	0.407	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8645	1.924	2	120.8645	3.702	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3970	1.441	2	120.3970	2.077	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5280	0.369	2	120.6357	5.030	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6895	2.886	4	120.6357	5.030	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9495	1.438	2	121.1267	0.928	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0285	1.426	2	121.1267	0.928	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4020	0.552	2	121.1267	0.928	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8310	2.564	2	120.5648	5.261	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2985	2.988	2	120.5648	5.261	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8765	2.266	2	120.8765	5.136	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1245	1.563	2	120.7707	1.043	16	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3265	1.620	2	120.7707	1.043	16	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9390	1.182	4	120.7707	1.043	16	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8270	0.559	2	120.7707	1.043	16	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5575	1.194	4	120.7707	1.043	16	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8945	0.902	2	120.7707	1.043	16	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3765	2.364	2	120.8313	2.453	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6950	1.500	8	120.8313	2.453	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5520	1.950	2	120.5452	4.759	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5385	3.236	2	120.5452	4.759	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<4>,2|O<2>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4835	3.656	2	120.4835	13.370	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H){1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2025	1.638	2	121.2025	2.684	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2360	1.480	8	120.2360	2.191	8	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5920	0.959	2	120.5920	0.919	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5180	0.346	2	120.5180	0.120	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1465	0.223	2	120.4103	0.235	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6740	0.615	2	120.4103	0.235	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8730	1.973	10	120.6879	3.550	14	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9685	1.422	2	120.6879	3.550	14	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4820	2.762	2	120.6879	3.550	14	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.3750	0.000	1	118.3750	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8600	0.000	1	120.8600	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4230	3.326	4	120.6615	7.238	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H){2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1385	1.527	2	120.6615	7.238	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5180	0.187	2	121.2390	2.287	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.9875	2.110	4	121.2390	2.287	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8510	1.050	4	121.2390	2.287	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9960	2.265	4	120.9960	5.132	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pd)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pd)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4760	1.618	2	121.4760	2.617	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7411	2.759	8	120.9862	9.179	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.9665	5.189	2	120.9862	9.179	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4210	1.611	2	120.4210	2.595	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.1520	0.000	1	117.1520	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.5700	0.000	1	122.5700	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2400	2.331	2	120.7210	4.243	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7770	2.223	6	120.7210	4.243	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0340	2.714	2	120.7210	4.243	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.6010	0.000	1	122.6010	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.4950	0.000	1	118.4950	0.000	1	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5857	1.487	6	120.5869	1.865	16	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8465	0.882	2	120.5869	1.865	16	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5230	1.511	8	120.5869	1.865	16	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8465	1.855	2	120.8465	3.440	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5150	3.052	2	120.5150	9.314	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6205	3.225	2	120.6237	4.294	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6252	1.921	4	120.6237	4.294	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4735	0.384	2	120.5413	2.446	74	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6175	1.336	2	120.5413	2.446	74	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7031	2.059	8	120.5413	2.446	74	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	120.7660	2.367	2	120.5413	2.446	74	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5985	0.781	2	120.5413	2.446	74	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5830	1.751	2	120.5413	2.446	74	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5007	1.607	54	120.5413	2.446	74	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6575	0.568	2	120.5413	2.446	74	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Co)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Co<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Co)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3585	2.031	4	120.3585	4.126	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cu<2>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3367	3.341	4	121.4110	14.512	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cu<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1272	4.229	6	121.4110	14.512	10	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Fe<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3957	0.799	4	120.6805	2.215	100	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Fe<5>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5282	1.084	12	120.6805	2.215	100	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Fe<6>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7159	1.567	84	120.6805	2.215	100	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<6>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6370	1.007	2	120.2070	1.237	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<6>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9920	1.240	4	120.2070	1.237	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7285	0.549	4	120.5729	2.600	32	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5699	1.806	16	120.5729	2.600	32	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5250	1.668	12	120.5729	2.600	32	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4698	1.098	26	120.5712	2.066	48	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6911	1.778	22	120.5712	2.066	48	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,2|C<3>,2|H<1>,3|O<2>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.5345	0.503	2	119.5345	0.253	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pt)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pt)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0070	3.982	2	121.0070	15.860	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Rh)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Rh<6>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Rh)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6540	1.720	6	120.6540	2.959	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ru<6>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5306	0.846	12	120.3503	2.013	18	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ru<9>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9897	2.244	6	120.3503	2.013	18	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H){1|Sn<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7195	0.880	2	120.5295	1.349	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<3>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3395	1.768	2	120.5295	1.349	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Sn)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Sn<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Sn)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6328	0.501	4	120.6328	0.251	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Zn<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5943	0.642	8	120.6579	1.983	74	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Zn<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.0315	2.584	2	120.6579	1.983	74	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Zn<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6854	1.460	64	120.6579	1.983	74	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|P<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4353	1.116	6	120.4353	1.245	6	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|P<4>,1|S<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.9110	3.515	4	119.9110	12.353	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0625	3.528	2	121.0625	12.445	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.5970	1.889	2	121.5970	3.570	2	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]Ni)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5793	3.081	4	120.5793	9.492	4	120.6744	2.675	1112	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,3|H<1>}	121.1311	0.944	8	121.1311	0.892	8	121.0962	1.050	16	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,3|H<1>}	121.0613	1.165	8	121.0613	1.356	8	121.0962	1.050	16	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:P[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)2{1|N<2>,1|W<6>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	120.7175	1.340	2	120.7175	1.796	2	120.7175	1.796	2	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(S[5]C[5]OO)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(S[5]C[5]OO)(C[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,3|H<1>}	120.8800	1.725	2	120.8800	2.977	2	120.8800	2.977	2	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5165	0.753	2	120.7915	1.301	4	120.7383	1.917	24	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0665	1.742	2	120.7915	1.301	4	120.7383	1.917	24	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5105	1.606	2	120.5105	2.579	2	120.7383	1.917	24	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.0740	0.000	1	120.6489	2.142	17	120.7383	1.917	24	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6120	0.925	2	120.6489	2.142	17	120.7383	1.917	24	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0995	1.241	2	120.6489	2.142	17	120.7383	1.917	24	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5650	1.054	2	120.6489	2.142	17	120.7383	1.917	24	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5590	1.676	2	120.6489	2.142	17	120.7383	1.917	24	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0632	1.034	4	120.6489	2.142	17	120.7383	1.917	24	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8510	3.371	2	120.6489	2.142	17	120.7383	1.917	24	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6660	2.353	2	120.6489	2.142	17	120.7383	1.917	24	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.5000	0.000	1	122.5000	0.000	1	120.7383	1.917	24	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.1775	2.661	2	120.5453	9.153	3	120.4800	3.624	7	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.2810	0.000	1	120.5453	9.153	3	120.4800	3.624	7	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2475	1.063	2	120.2475	1.130	2	120.4800	3.624	7	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6145	1.466	2	120.6145	2.149	2	120.4800	3.624	7	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]CuC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2{1|Cu<5>,1|C<3>,2|H<1>,4|C<4>}	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]CuC)(C[6a]C[6a]2)(H){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|N<4>,2|C<3>,2|H<1>}	120.9988	3.385	4	120.9988	11.457	4	120.9988	11.457	4	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	121.6710	0.205	2	121.6710	0.042	2	121.0740	0.525	4	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4770	0.330	2	120.4770	0.109	2	121.0740	0.525	4	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.4425	0.360	2	124.4425	0.130	2	124.4425	0.130	2	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.6420	0.368	2	122.6420	0.135	2	120.8202	2.231	30	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6660	0.993	2	120.6660	0.986	2	120.8202	2.231	30	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.6035	0.831	2	119.6035	0.690	2	120.8202	2.231	30	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8235	2.583	2	120.7826	2.314	24	120.8202	2.231	30	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.5640	2.514	2	120.7826	2.314	24	120.8202	2.231	30	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6088	1.635	8	120.7826	2.314	24	120.8202	2.231	30	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9210	1.421	2	120.7826	2.314	24	120.8202	2.231	30	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6891	1.531	8	120.7826	2.314	24	120.8202	2.231	30	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8910	0.412	2	120.7826	2.314	24	120.8202	2.231	30	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<4>,2|Br<1>,1|C<3>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|N<4>,1|O<2>,2|H<1>}	116.9040	0.000	1	116.9040	0.000	1	116.4980	0.330	2	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<4>,2|Cl<1>,1|C<3>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,1|N<4>,1|O<2>,2|H<1>}	116.0920	0.000	1	116.0920	0.000	1	116.4980	0.330	2	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:P[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]P[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]N[5,6]C[6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]P[5]H)(C[6a]C[6a]H)2{1|Rh<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]N[5,6]C[6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	120.4878	0.876	4	120.4878	0.768	4	120.4878	0.768	4	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:P[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]H)2	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	119.9920	3.265	4	119.9920	10.658	4	120.5286	7.992	20	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:P[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]H)2	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]H)2{1|Rh<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	120.6628	2.810	16	120.6628	7.896	16	120.5286	7.992	20	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5900	3.118	2	120.6202	5.339	4	120.6002	2.965	14	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6505	2.508	2	120.6202	5.339	4	120.6002	2.965	14	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4575	3.169	2	120.4575	10.040	2	120.6002	2.965	14	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6305	1.800	2	120.6305	3.239	2	120.6002	2.965	14	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5565	2.118	2	120.5565	4.485	2	120.6002	2.965	14	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8220	1.160	2	120.6582	1.565	4	120.6002	2.965	14	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4945	1.801	2	120.6582	1.565	4	120.6002	2.965	14	120.7112	2.691	1353	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	120.5115	0.991	2	120.5115	0.981	2	120.5115	0.981	2	120.4527	7.745	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	114.0980	0.000	1	114.0980	0.000	1	119.3392	8.358	8	120.4527	7.745	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0505	0.114	2	119.0505	0.013	2	119.3392	8.358	8	120.4527	7.745	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.6400	0.000	1	120.9380	5.794	2	119.3392	8.358	8	120.4527	7.745	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.2360	0.000	1	120.9380	5.794	2	119.3392	8.358	8	120.4527	7.745	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.6170	0.000	1	117.6170	0.000	1	119.3392	8.358	8	120.4527	7.745	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.4540	0.000	1	123.4540	0.000	1	119.3392	8.358	8	120.4527	7.745	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.5680	0.000	1	119.5680	0.000	1	119.3392	8.358	8	120.4527	7.745	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.1780	2.496	2	121.6433	10.181	3	121.6433	10.181	3	120.4527	7.745	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.5740	0.000	1	121.6433	10.181	3	121.6433	10.181	3	120.4527	7.745	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OAl)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<4>,2|Br<1>,1|C<3>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OAl){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	122.4300	0.000	1	122.4300	0.000	1	123.0615	0.798	2	120.4527	7.745	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OAl)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<4>,2|Cl<1>,1|C<3>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OAl){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	123.6930	0.000	1	123.6930	0.000	1	123.0615	0.798	2	120.4527	7.745	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C[6a](C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H){1|C<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	120.4787	15.685	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	116.5130	0.000	1	116.5130	0.000	1	119.2608	14.804	5	120.4787	15.685	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	119.1560	0.000	1	118.0820	2.307	2	119.2608	14.804	5	120.4787	15.685	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	117.0080	0.000	1	118.0820	2.307	2	119.2608	14.804	5	120.4787	15.685	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.7180	0.000	1	117.7180	0.000	1	119.2608	14.804	5	120.4787	15.685	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ir<6>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|P<4>,3|C<3>,4|H<1>}	125.9090	0.000	1	125.9090	0.000	1	119.2608	14.804	5	120.4787	15.685	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.6370	0.000	1	125.6370	0.000	1	125.6370	0.000	1	120.4787	15.685	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,3|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	117.6345	1.225	4	117.6345	1.501	4	118.8043	4.366	7	120.9004	9.706	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	121.1500	0.000	1	121.1500	0.000	1	118.8043	4.366	7	120.9004	9.706	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)2{3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	119.9710	2.827	2	119.9710	7.992	2	118.8043	4.366	7	120.9004	9.706	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]C){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){2|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	125.8270	0.000	1	125.8270	0.000	1	122.3676	8.535	10	120.9004	9.706	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7800	0.000	1	119.7800	0.000	1	122.3676	8.535	10	120.9004	9.706	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6730	0.000	1	120.6730	0.000	1	122.3676	8.535	10	120.9004	9.706	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8740	0.000	1	120.8740	0.000	1	122.3676	8.535	10	120.9004	9.706	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.7950	0.000	1	125.7950	0.000	1	122.3676	8.535	10	120.9004	9.706	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3725	0.407	2	121.3725	0.165	2	122.3676	8.535	10	120.9004	9.706	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCHH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	127.0980	0.000	1	127.0980	0.000	1	122.3676	8.535	10	120.9004	9.706	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	120.4420	3.060	2	120.4420	9.366	2	122.3676	8.535	10	120.9004	9.706	17	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	120.8627	1.764	6	120.8627	3.111	6	120.8627	3.111	6	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	119.0790	0.000	1	119.0790	0.000	1	119.0790	0.000	1	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.1110	0.000	1	121.1110	0.000	1	120.8467	0.637	3	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.4790	0.000	1	121.4790	0.000	1	120.8467	0.637	3	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.9500	0.000	1	119.9500	0.000	1	120.8467	0.637	3	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	122.8260	0.000	1	122.8260	0.000	1	122.8260	0.000	1	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	118.1190	0.000	1	118.1190	0.000	1	120.3135	1.869	11	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(C[6a]C[6a]2)(CN){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	120.5440	1.911	2	120.5440	3.650	2	120.3135	1.869	11	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	120.5538	1.439	4	120.5538	2.072	4	120.3135	1.869	11	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	120.5065	1.084	4	120.5065	1.175	4	120.3135	1.869	11	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	120.6170	1.362	2	120.6383	2.296	6	120.6470	1.984	8	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.6490	1.791	4	120.6383	2.296	6	120.6470	1.984	8	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	120.6730	1.551	2	120.6730	2.407	2	120.6470	1.984	8	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7600	0.993	2	120.7600	0.986	2	120.7600	0.986	2	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5]){1|N<3>,1|O<1>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3530	0.788	2	120.3530	0.620	2	120.3530	0.620	2	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CN){1|Cl<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	121.1640	0.000	1	121.1640	0.000	1	121.1640	0.000	1	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.4815	0.103	2	123.4815	0.011	2	123.4815	0.011	2	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	119.1650	0.178	2	119.1650	0.032	2	120.3799	2.424	18	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]C[5]H)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]C[5]H)(OH){1|C<2>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7165	0.576	2	120.7165	0.332	2	120.3799	2.424	18	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6540	1.715	2	120.6540	2.943	2	120.3799	2.424	18	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5983	1.591	6	120.4807	3.132	12	120.3799	2.424	18	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.2520	1.780	2	120.4807	3.132	12	120.3799	2.424	18	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.4185	2.479	4	120.4807	3.132	12	120.3799	2.424	18	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.7695	2.268	2	120.7695	5.142	2	120.7695	5.142	2	120.6487	2.215	57	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CN){1|Cl<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5260	0.000	1	120.5260	0.000	1	120.5260	0.000	1	120.5260	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.7810	0.000	1	119.7810	0.000	1	119.7810	0.000	1	119.7810	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(COO){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1500	0.387	2	121.1500	0.150	2	121.1500	0.150	2	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.6605	0.559	4	121.4835	3.906	11	121.4835	3.906	11	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{6|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3823	2.514	7	121.4835	3.906	11	121.4835	3.906	11	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(COO){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9900	1.628	2	120.9900	2.650	2	120.8770	2.217	8	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]O){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9540	3.554	2	120.9540	12.630	2	120.8770	2.217	8	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7820	0.233	4	120.7820	0.054	4	120.8770	2.217	8	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.9220	1.615	2	121.9220	2.608	2	121.9220	2.608	2	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	122.8220	0.000	1	122.8220	0.000	1	120.9175	1.495	15	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0370	0.030	2	120.8198	1.342	10	120.9175	1.495	15	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7655	1.307	8	120.8198	1.342	10	120.9175	1.495	15	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5690	1.161	2	120.5690	1.348	2	120.9175	1.495	15	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]H)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]H)(COO){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8025	1.873	2	120.8025	3.509	2	120.9175	1.495	15	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.9900	1.862	4	120.9900	3.468	4	120.9900	3.468	4	121.1238	2.258	42	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1630	0.648	2	121.1630	0.420	2	121.1630	0.420	2	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0690	0.379	2	121.0690	0.144	2	121.0690	0.144	2	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.8080	0.000	2	121.8080	0.000	2	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(N[5]C[5]S)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,2|F<1>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(N[5]C[5]S)(CH3){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8910	0.198	2	120.8910	0.039	2	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8503	1.536	4	120.8503	2.361	4	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9590	1.561	2	121.0678	1.873	8	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	121.1568	1.518	4	121.0678	1.873	8	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9985	1.924	2	121.0678	1.873	8	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CHHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CHHN){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7700	3.507	2	120.7700	12.301	2	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.1097	2.148	10	121.1075	5.174	12	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.0965	3.922	2	121.1075	5.174	12	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrCH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1445	3.395	2	121.1445	11.525	2	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrHH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6645	2.358	2	120.6645	5.561	2	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.3500	1.530	2	121.3500	2.341	2	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CHHI)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CHHI){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.2935	2.255	2	120.2935	5.085	2	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(CBrHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|S<2>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(CBrHH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7540	3.520	2	120.7540	12.390	2	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(CF3){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9170	0.187	2	120.9170	0.035	2	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.2100	1.987	4	121.2100	3.947	4	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CHHI)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CHHI){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.9435	3.102	2	120.9435	9.623	2	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]S[5]H)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]S[5]H)(CH3){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.9120	2.332	2	120.9120	5.438	2	121.0194	3.200	50	121.0265	2.970	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:3:4:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.1740	0.000	2	120.1740	0.000	2	120.1740	0.000	2	120.1740	0.000	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H){1|C<3>,1|N<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.7960	3.528	2	120.7960	12.450	2	120.7960	12.450	2	120.7960	12.450	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	119.3350	0.000	1	119.3350	0.000	1	120.8566	4.429	11	120.8815	3.950	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H){1|C<3>,1|N<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<4>,3|H<1>}	121.4955	3.625	2	121.4955	13.143	2	120.8566	4.429	11	120.8815	3.950	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.5945	3.621	2	121.0345	5.688	4	120.8566	4.429	11	120.8815	3.950	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	121.4745	1.783	2	121.0345	5.688	4	120.8566	4.429	11	120.8815	3.950	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.9210	2.472	2	120.9210	6.111	2	120.8566	4.429	11	120.8815	3.950	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.5585	2.128	2	120.5585	4.527	2	120.8566	4.429	11	120.8815	3.950	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|O<1>}	123.7970	0.000	1	123.7970	0.000	1	123.7970	0.000	1	120.8815	3.950	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|N<4>,1|O<1>,2|H<1>}	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	120.8815	3.950	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(P[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(P[5]N[5]CC)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.1850	1.696	2	121.1850	2.875	2	120.8533	2.808	14	120.8815	3.950	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]BC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]BC)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.7419	1.628	8	120.7419	2.652	8	120.8533	2.808	14	120.8815	3.950	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]OO)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.9102	2.216	4	120.9102	4.909	4	120.8533	2.808	14	120.8815	3.950	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]OO)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	121.4200	3.108	2	121.4200	9.662	2	121.4200	9.662	2	120.8815	3.950	29	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.1210	0.000	1	120.1210	0.000	1	120.1210	0.000	1	120.1210	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>,1|O<2>,2|C<4>}	121.9600	0.000	1	121.9600	0.000	1	121.9600	0.000	1	121.1270	2.203	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|F<1>}	122.1560	0.000	1	122.1560	0.000	1	121.0390	2.716	9	121.1270	2.203	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7240	1.691	2	121.0443	2.908	6	121.0390	2.716	9	121.1270	2.203	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.2045	1.947	4	121.0443	2.908	6	121.0390	2.716	9	121.1270	2.203	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.4645	2.297	2	120.4645	5.278	2	121.0390	2.716	9	121.1270	2.203	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]C[6]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]C[6]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5]){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1065	1.320	2	121.1065	1.743	2	121.1065	1.743	2	121.1270	2.203	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(N[5]C[5]S)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(N[5]C[5]S){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0040	2.039	2	121.0040	4.159	2	121.0040	4.159	2	121.1885	1.433	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]C[6]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[6]C[6]2H)(N[5]C[5]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]C[6]N[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>,5|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[6]C[6]2H)(N[5]C[5]C){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.3730	0.052	2	121.3730	0.003	2	121.3730	0.003	2	121.1885	1.433	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9377	1.352	4	120.9377	1.829	4	120.9377	1.829	4	120.9377	1.829	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.2320	0.000	1	122.2320	0.000	1	122.2320	0.000	1	122.2320	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]B[5]O[5]H)(C[6a]C[6a]F)2	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[6a](C[5]B[5]O[5]H)(C[6a]C[6a]F)2{1|B<3>,1|O<2>,2|F<1>,3|C<3>}	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|F<1>}	122.1690	0.641	2	122.1690	0.410	2	122.1690	0.410	2	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.9345	0.415	2	120.9345	0.172	2	120.9345	0.172	2	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	119.6160	0.206	2	119.6160	0.043	2	119.6160	0.043	2	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3665	2.085	2	120.3665	4.348	2	120.4163	1.198	12	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.0645	1.382	2	120.4554	0.450	7	120.4163	1.198	12	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9660	0.000	1	120.4554	0.450	7	120.4163	1.198	12	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5233	0.262	4	120.4554	0.450	7	120.4163	1.198	12	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.5500	0.000	1	118.5500	0.000	1	120.4163	1.198	12	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H){3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2625	1.092	2	121.2625	1.194	2	120.4163	1.198	12	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.2210	2.944	2	121.2210	8.669	2	121.1027	3.017	6	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.8530	1.577	2	121.0435	2.125	4	121.1027	3.017	6	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.2340	1.935	2	121.0435	2.125	4	121.1027	3.017	6	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.6220	0.000	1	121.6220	0.000	1	121.6220	0.000	1	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.4820	0.000	1	118.4820	0.000	1	120.5060	3.259	7	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.6745	0.155	2	121.6745	0.024	2	120.5060	3.259	7	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,6|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4740	1.701	2	119.7063	3.215	3	120.5060	3.259	7	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.1710	0.000	1	119.7063	3.215	3	120.5060	3.259	7	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.5920	0.000	1	122.5920	0.000	1	120.5060	3.259	7	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])(H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])(H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.0570	0.000	1	120.0570	0.000	1	120.7604	2.232	14	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	121.6590	0.000	1	121.6590	0.000	1	120.7604	2.232	14	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.3900	1.568	2	120.3900	2.460	2	120.7604	2.232	14	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|Ge<4>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.9335	2.055	4	120.9335	4.222	4	120.7604	2.232	14	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.7270	0.762	2	120.7270	0.581	2	120.7604	2.232	14	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.7403	1.967	4	120.7403	3.867	4	120.7604	2.232	14	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.1268	0.434	4	120.5428	2.041	10	120.5428	2.041	10	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.0090	0.000	1	120.5428	2.041	10	120.5428	2.041	10	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	119.8762	2.132	4	120.5428	2.041	10	120.5428	2.041	10	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.4070	0.000	1	120.5428	2.041	10	120.5428	2.041	10	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.7680	0.000	1	121.7680	0.000	1	121.7680	0.000	1	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.5735	0.476	4	119.3769	1.918	10	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.0090	0.000	1	119.3769	1.918	10	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.1497	1.911	4	119.3769	1.918	10	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.8670	0.000	1	119.3769	1.918	10	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	122.2650	0.137	2	122.2650	0.019	2	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.3530	0.000	1	121.3530	0.000	1	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.3730	0.000	1	118.3730	0.000	1	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1860	0.000	1	120.1860	0.000	1	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4900	1.666	2	120.4900	2.775	2	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4400	2.181	2	120.4400	4.756	2	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.8480	1.315	2	121.8480	1.730	2	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.2125	0.894	2	119.2125	0.800	2	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.9075	0.221	2	120.6243	0.305	4	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3410	0.738	2	120.6243	0.305	4	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8350	1.742	2	120.8350	3.036	2	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.6190	1.829	2	122.6190	3.344	2	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.0995	1.722	19	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.1290	0.000	1	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7895	0.414	2	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9275	0.105	2	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6355	2.070	4	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7220	1.396	4	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3882	2.575	4	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3465	2.170	2	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7040	1.349	2	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5205	0.951	2	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4105	2.258	2	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2130	4.168	2	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.5115	2.080	2	120.7260	3.032	48	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.0585	1.378	2	119.5806	2.559	22	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.5661	1.682	19	119.5806	2.559	22	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.9000	0.000	1	119.5806	2.559	22	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3023	3.191	4	120.3023	10.183	4	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6465	2.396	2	120.6465	5.743	2	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.2560	0.000	1	120.2253	2.198	3	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7100	1.728	2	120.2253	2.198	3	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.1940	0.000	1	121.1940	0.000	1	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4270	2.055	2	120.4442	1.511	4	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4615	0.556	2	120.4442	1.511	4	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.0210	2.619	2	121.0210	6.860	2	120.3881	2.969	117	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])(H){1|O<1>,1|S<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.8640	0.448	2	120.8640	0.201	2	120.8640	0.201	2	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.5900	0.000	1	119.5900	0.000	1	120.6250	2.142	2	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|Cl<1>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.6600	0.000	1	121.6600	0.000	1	120.6250	2.142	2	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.9740	0.000	1	119.9740	0.000	1	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.0380	0.000	1	119.1053	0.076	3	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.8700	0.000	1	119.1053	0.076	3	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4080	0.000	1	119.1053	0.076	3	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.7670	0.000	1	121.7670	0.000	1	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|Cl<1>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.0570	0.000	1	121.0570	0.000	1	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.5580	0.000	1	122.4280	0.034	2	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.2980	0.000	1	122.4280	0.034	2	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8245	0.308	2	120.8245	0.095	2	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6715	2.029	4	120.6715	4.116	4	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6880	3.371	2	120.6880	11.367	2	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.2710	0.000	1	121.2710	0.000	1	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.6420	0.000	1	118.6420	0.000	1	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8360	2.386	2	120.6797	1.934	20	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7510	0.824	2	120.6797	1.934	20	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6050	1.823	2	120.6797	1.934	20	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6795	1.978	2	120.6797	1.934	20	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5115	2.811	2	120.6797	1.934	20	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5665	1.183	2	120.6797	1.934	20	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4635	2.526	2	120.6797	1.934	20	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.5630	0.000	1	120.6797	1.934	20	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.0620	0.000	1	120.6797	1.934	20	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7858	1.155	4	120.6797	1.934	20	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4430	1.387	2	120.6280	2.121	8	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5750	1.530	2	120.6280	2.121	8	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7470	1.866	4	120.6280	2.121	8	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8240	0.686	2	120.6792	1.138	6	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6068	1.311	4	120.6792	1.138	6	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6925	3.200	2	120.6925	10.238	2	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7295	1.979	2	120.7295	3.917	2	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7835	2.098	2	120.6835	4.428	4	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5835	2.973	2	120.6835	4.428	4	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9950	0.795	4	120.9950	0.633	4	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4535	0.899	8	120.4535	0.807	8	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2205	3.348	2	120.2205	11.210	2	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8010	0.738	16	120.7420	0.965	20	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5060	1.816	4	120.7420	0.965	20	120.6570	1.796	94	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]S[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	121.3161	2.401	8	121.3161	5.766	8	121.3161	5.766	8	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.7320	1.581	2	120.7320	2.500	2	120.7095	1.799	44	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	121.0945	6.196	2	121.0945	38.395	2	120.7095	1.799	44	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.8655	2.345	2	120.8655	5.501	2	120.7095	1.799	44	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.6155	1.778	2	120.5024	0.609	16	120.7095	1.799	44	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.4428	0.743	8	120.5024	0.609	16	120.7095	1.799	44	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.6340	1.031	2	120.5024	0.609	16	120.7095	1.799	44	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.6255	0.931	2	120.5024	0.609	16	120.7095	1.799	44	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<6>,2|H<1>}	120.3730	0.191	2	120.5024	0.609	16	120.7095	1.799	44	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.8696	1.146	14	120.8696	1.313	14	120.7095	1.799	44	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5])(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.4170	0.847	2	120.4170	0.718	2	120.7095	1.799	44	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.7982	0.696	6	120.7982	0.484	6	120.7095	1.799	44	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	119.8920	0.000	1	119.8920	0.000	1	120.0285	0.037	2	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.1650	0.000	1	120.1650	0.000	1	120.0285	0.037	2	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2{1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|F<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	121.9085	3.012	4	121.9085	9.069	4	121.9085	9.069	4	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.4510	0.000	1	119.4510	0.000	1	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.6970	0.000	1	118.6970	0.000	1	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5090	0.000	1	121.5090	0.000	1	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	117.0495	0.467	2	117.0495	0.218	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.2190	0.000	1	121.2190	0.000	1	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.8127	0.266	3	121.8127	0.071	3	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<4>,2|H<1>}	118.5090	0.000	1	118.5090	0.000	1	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|H<1>,2|O<2>}	120.5290	0.000	1	120.5290	0.000	1	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8825	2.655	2	120.8825	7.050	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7011	2.542	10	120.7011	6.461	10	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5910	1.843	2	120.5910	3.396	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7305	0.610	4	120.8211	0.507	18	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0438	0.453	4	120.8211	0.507	18	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7415	0.822	4	120.8211	0.507	18	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7860	0.958	6	120.8211	0.507	18	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1820	0.000	1	121.1820	0.000	1	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.6540	0.000	1	120.4989	1.308	32	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.4120	0.000	1	120.4989	1.308	32	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7910	0.840	2	120.4989	1.308	32	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7305	1.167	2	120.4989	1.308	32	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5890	1.478	2	120.4989	1.308	32	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8572	0.523	4	120.4989	1.308	32	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2310	0.769	2	120.4989	1.308	32	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.2763	1.424	16	120.4989	1.308	32	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.1835	0.472	2	120.4989	1.308	32	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.6480	0.000	1	119.6480	0.000	1	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2910	0.000	1	120.3767	6.025	3	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4195	3.470	2	120.3767	6.025	3	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9560	0.000	1	120.9560	0.000	1	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4320	0.972	2	120.4320	0.944	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5265	2.063	2	120.5694	2.639	10	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3982	2.072	4	120.5694	2.639	10	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2195	0.245	2	120.5694	2.639	10	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3045	2.334	2	120.5694	2.639	10	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.0065	5.474	2	120.0065	29.962	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5480	1.407	2	120.5480	1.980	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6555	2.229	4	120.6555	4.969	4	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6010	1.975	4	120.8023	2.848	6	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2050	1.434	2	120.8023	2.848	6	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5750	1.815	4	120.5661	9.184	8	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5572	4.259	4	120.5661	9.184	8	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5175	0.301	2	120.5175	0.090	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.8455	2.084	2	119.8455	4.342	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.3005	0.873	4	120.9020	1.731	10	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6363	1.564	6	120.9020	1.731	10	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.3740	1.410	4	119.3740	1.987	4	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9164	0.759	8	120.9164	0.575	8	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.2000	0.843	8	121.2000	0.711	8	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3460	0.651	2	120.3980	0.148	4	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4500	0.103	2	120.3980	0.148	4	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7805	1.901	4	120.7218	2.495	6	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6045	1.264	2	120.7218	2.495	6	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.4160	0.000	1	122.4160	0.000	1	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.1900	0.000	1	118.1900	0.000	1	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3250	0.549	2	120.3250	0.301	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7650	0.075	2	120.7650	0.006	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.3245	1.811	2	120.3010	1.542	4	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2775	1.159	2	120.3010	1.542	4	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4087	2.102	4	121.1657	2.253	28	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1252	1.434	24	121.1657	2.253	28	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2420	1.475	2	120.2420	2.176	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4100	3.090	2	120.5825	6.115	4	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7550	2.946	2	120.5825	6.115	4	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3700	3.770	2	120.3700	14.215	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8272	1.414	13	120.6002	2.499	47	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4814	1.644	22	120.6002	2.499	47	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Ir<8>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2032	1.542	4	120.6002	2.499	47	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4488	1.939	4	120.6002	2.499	47	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.3825	0.917	2	120.6002	2.499	47	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7465	3.463	2	120.6002	2.499	47	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1142	1.918	6	120.1142	3.679	6	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3520	3.523	2	120.3520	12.410	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6455	0.230	2	120.6455	0.053	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3650	3.864	2	120.3650	14.928	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7260	0.584	4	120.6813	1.023	6	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5920	2.017	2	120.6813	1.023	6	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8040	0.655	4	120.8040	0.428	4	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8017	1.209	8	120.5369	1.289	44	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4704	1.092	32	120.5369	1.289	44	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5388	1.585	4	120.5369	1.289	44	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5757	1.350	8	120.5757	1.822	8	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3666	1.383	12	120.4671	1.466	16	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7688	0.399	4	120.4671	1.466	16	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1580	1.962	2	120.1580	3.848	2	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3822	1.810	4	120.3822	3.276	4	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4513	1.752	4	120.4513	3.071	4	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<5>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H){2|H<1>,3|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	120.9790	0.915	4	120.9790	0.836	4	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|N<4>,4|H<1>}	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2657	0.745	16	120.2657	0.555	16	120.5898	2.157	372	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.7645	2.864	2	120.7645	8.205	2	121.0773	3.584	8	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	121.4375	2.107	4	121.4375	4.437	4	121.0773	3.584	8	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.6695	1.589	2	120.6695	2.525	2	121.0773	3.584	8	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,1|O<2>,1|P<4>,2|H<1>}	120.3555	1.534	2	120.3555	2.352	2	120.3555	2.352	2	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[5]NiC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,2|C<3>,4|C<4>}	C[5](N[5]C[5]NiC)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,1|O<3>,2|H<1>}	118.9435	0.449	2	118.9435	0.202	2	120.7296	3.256	5	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|C<3>,4|C<4>}	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,1|O<3>,2|H<1>}	123.0420	0.000	1	121.9203	1.095	3	120.7296	3.256	5	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|C<3>,4|C<4>}	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,1|O<3>,2|H<1>}	121.3595	0.549	2	121.9203	1.095	3	120.7296	3.256	5	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5,5]ClCr)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|Cr<6>,1|C<3>,2|C<4>,2|H<1>}	C[5](P[5]C[5,5]ClCr)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.4835	0.462	2	120.4835	0.213	2	120.2940	0.727	10	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5,5]ClMo)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	C[5](P[5]C[5,5]ClMo)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.8035	0.668	2	120.8035	0.447	2	120.2940	0.727	10	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5,5]FW)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,1|W<6>,2|C<4>,2|H<1>}	C[5](P[5]C[5,5]FW)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.0500	1.465	2	120.0500	2.147	2	120.2940	0.727	10	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	119.9970	1.162	2	120.0665	0.939	4	120.2940	0.727	10	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.1360	1.202	2	120.0665	0.939	4	120.2940	0.727	10	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]Si[5]S[5]H)(C[6a]C[6a]H)2	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]Si[5]S[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|S<2>,3|H<1>}	120.6400	1.263	2	120.6400	1.595	2	120.6400	1.595	2	120.6006	2.247	731	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(OC)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.7700	0.339	2	121.7700	0.115	2	121.7700	0.115	2	119.7988	1.206	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.1245	0.094	2	119.1245	0.009	2	119.1245	0.009	2	119.7988	1.206	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.0090	0.000	1	120.0090	0.000	1	120.0090	0.000	1	119.7988	1.206	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(OC)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(OC){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	118.8665	0.364	2	118.8665	0.133	2	118.8665	0.133	2	119.7988	1.206	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.1380	0.000	1	118.7740	0.809	2	118.7740	0.809	2	119.7988	1.206	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.4100	0.000	1	118.7740	0.809	2	118.7740	0.809	2	119.7988	1.206	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3610	0.000	1	120.3610	0.000	1	120.0763	0.176	4	119.7988	1.206	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.9813	0.459	3	119.9813	0.211	3	120.0763	0.176	4	119.7988	1.206	13	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.7560	0.000	1	119.7560	0.000	1	119.7560	0.000	1	120.4760	5.395	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(NCH)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(NCH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.6410	0.611	2	123.6410	0.373	2	123.6410	0.373	2	120.4760	5.395	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[5]NiC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(ONi2)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,2|C<3>,4|C<4>}	C[5](N[5]C[5]NiC)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(ONi2){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	120.8065	0.807	2	120.8065	0.651	2	119.3540	2.636	5	120.4760	5.395	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OZn2)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|C<3>,4|C<4>}	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OZn2){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.7660	0.000	1	118.3857	1.431	3	119.3540	2.636	5	120.4760	5.395	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OZn2)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|C<3>,4|C<4>}	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OZn2){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	117.6955	0.057	2	118.3857	1.431	3	119.3540	2.636	5	120.4760	5.395	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.4280	0.000	1	121.4280	0.000	1	121.4280	0.000	1	121.0034	2.280	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.1790	0.000	1	121.0680	0.041	3	121.0680	0.041	3	121.0034	2.280	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.1910	0.000	1	121.0680	0.041	3	121.0680	0.041	3	121.0034	2.280	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8340	0.000	1	121.0680	0.041	3	121.0680	0.041	3	121.0034	2.280	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.3540	0.000	1	121.3540	0.000	1	121.3540	0.000	1	121.0034	2.280	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.2760	0.000	1	123.2760	0.000	1	123.2760	0.000	1	121.0034	2.280	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.3825	2.268	2	119.3825	5.142	2	119.3825	5.142	2	121.0034	2.280	8	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]O[5]O)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]O[5]O)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,2|O<2>}	120.5755	0.155	2	120.5755	0.024	2	120.5755	0.024	2	120.5055	1.472	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:S[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[4,5]S[5]O)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[4,5]S[5]O)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	120.6525	2.081	2	120.6525	4.331	2	120.6525	4.331	2	120.5055	1.472	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.3155	1.247	2	120.3155	1.554	2	120.3155	1.554	2	120.5055	1.472	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6,6]O[5]O)(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6,6]O[5]O)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH){2|C<3>,4|H<1>,5|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6780	2.987	2	120.6780	8.921	2	120.6780	8.921	2	120.5055	1.472	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.5275	2.568	2	120.5275	6.592	2	120.5275	6.592	2	120.5055	1.472	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]2)(C[6a]C[6a]H)2{2|H<1>,2|N<2>,4|C<3>}	C[5](C[5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5])2{2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,2|N<2>}	120.4680	0.147	2	120.4680	0.022	2	120.4680	0.022	2	120.5055	1.472	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.4257	1.142	4	120.4257	1.304	4	120.4257	1.304	4	120.5055	1.472	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5]2Fe)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2{1|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5]2Fe)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7668	1.568	6	120.7668	2.458	6	120.5013	1.288	12	120.5055	1.472	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2{3|H<1>,4|C<3>,5|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.1895	0.569	4	120.1895	0.324	4	120.5013	1.288	12	120.5055	1.472	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.3285	0.203	2	120.3285	0.041	2	120.5013	1.288	12	120.5055	1.472	28	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[4,5]O[5]C)(C[6a]C[6a]H)2	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[4,5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5550	0.758	4	120.5550	0.574	4	120.5550	0.574	4	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.7635	0.424	2	120.7635	0.179	2	120.6437	1.471	8	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.0735	1.496	2	121.0735	2.237	2	120.6437	1.471	8	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.2920	2.645	2	120.2920	6.994	2	120.6437	1.471	8	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.4460	0.407	2	120.4460	0.166	2	120.6437	1.471	8	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.5230	2.270	4	120.5230	5.152	4	120.5230	5.152	4	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5])(COO){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.3040	2.760	4	121.3040	7.620	4	121.3040	7.620	4	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6935	2.099	2	120.6935	4.407	2	120.6935	4.407	2	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.4437	0.989	6	118.4437	0.977	6	119.6139	1.837	14	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5])(COO){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.6025	0.968	4	120.6025	0.938	4	119.6139	1.837	14	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.4675	0.634	2	120.4675	0.402	2	119.6139	1.837	14	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.2940	1.127	2	120.2940	1.270	2	119.6139	1.837	14	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6328	0.495	4	120.6328	0.245	4	120.5144	0.636	20	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2340	1.558	2	120.2340	2.429	2	120.5144	0.636	20	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2970	1.718	2	120.2970	2.952	2	120.5144	0.636	20	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6910	1.164	2	120.6910	1.355	2	120.5144	0.636	20	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6090	0.071	2	120.5253	0.233	6	120.5144	0.636	20	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3150	0.936	2	120.5253	0.233	6	120.5144	0.636	20	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6520	0.389	2	120.5253	0.233	6	120.5144	0.636	20	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5403	1.014	4	120.5403	1.027	4	120.5144	0.636	20	120.3741	1.885	56	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	125.4017	0.934	6	125.4017	0.872	6	125.4017	0.872	6	125.4017	0.872	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.9845	1.194	2	120.9845	1.426	2	120.9288	0.315	6	120.9378	1.060	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	120.8935	0.078	2	120.8935	0.006	2	120.9288	0.315	6	120.9378	1.060	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.9085	0.367	2	120.9085	0.135	2	120.9288	0.315	6	120.9378	1.060	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.5325	0.696	4	121.5325	0.485	4	121.0267	1.625	12	120.9378	1.060	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6260	2.657	2	120.6260	7.061	2	121.0267	1.625	12	120.9378	1.060	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8795	2.102	2	120.8795	4.419	2	121.0267	1.625	12	120.9378	1.060	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6320	1.762	2	120.6320	3.105	2	121.0267	1.625	12	120.9378	1.060	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9575	0.353	2	120.9575	0.125	2	121.0267	1.625	12	120.9378	1.060	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]O[5]P[5]C)(C[6a]C[6a]H)2	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]O[5]P[5]C)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<4>,2|H<1>}	120.4315	0.301	2	120.4315	0.090	2	120.4315	0.090	2	120.9378	1.060	20	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a])(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.8900	1.113	2	119.8900	1.239	2	119.8900	1.239	2	119.8900	1.239	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]B[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](B[5,5]O[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]B[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,3|O<2>}	C[5](B[5,5]O[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,3|H<1>}	120.9085	0.883	2	120.9085	0.780	2	120.9085	0.780	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]B[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](B[5,6]C[5,6]N[6,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]B[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](B[5,6]C[5,6]N[6,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){11|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,3|H<1>}	121.4382	1.396	6	121.4382	1.949	6	121.4382	1.949	6	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,2|F<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<4>,1|H<1>,2|C<3>,2|F<1>}	123.0100	1.840	4	123.0100	3.385	4	123.0100	3.385	4	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,2|H<1>,4|C<3>}	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,3|H<1>}	120.7640	3.647	2	120.7640	13.302	2	120.7640	13.302	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[3,5]C[3,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5400	0.000	1	120.5400	0.000	1	120.8363	1.452	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9845	1.665	2	120.9845	2.773	2	120.8363	1.452	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6360	1.713	2	120.6360	2.933	2	120.6001	2.169	12	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.9330	0.255	2	120.9330	0.065	2	120.6001	2.169	12	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.1975	2.330	4	120.1975	5.429	4	120.6001	2.169	12	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5975	1.795	2	120.5975	3.223	2	120.6001	2.169	12	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0390	0.307	2	121.0390	0.094	2	120.6001	2.169	12	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.3580	0.000	1	124.3580	0.000	1	122.0510	5.263	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8975	1.595	2	120.8975	2.543	2	122.0510	5.263	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3x5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3x5,6]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7110	2.554	2	120.7110	6.523	2	120.7110	6.523	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[4,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[4,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,3|H<1>,5|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9870	4.460	2	120.9870	19.895	2	120.9870	19.895	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[4,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[4,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2985	2.313	2	121.2985	5.350	2	121.2985	5.350	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|P<4>,1|W<7>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|P<4>,2|H<1>}	118.4480	0.000	1	119.1820	0.408	3	119.1820	0.408	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<6>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|P<4>,2|H<1>}	119.6080	0.000	1	119.1820	0.408	3	119.1820	0.408	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<7>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|P<4>,2|H<1>}	119.4900	0.000	1	119.1820	0.408	3	119.1820	0.408	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.1710	0.000	1	122.1710	0.000	1	121.0283	12.601	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4570	4.821	2	120.4570	23.243	2	121.0283	12.601	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8510	0.653	2	120.8510	0.427	2	120.8510	0.427	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5a]C[5,5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5a]C[5,5a]O[5a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6605	2.371	2	120.6605	5.621	2	120.6605	5.621	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9253	1.484	4	120.9253	2.203	4	120.9253	2.203	4	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.9450	0.000	1	121.2976	1.409	21	121.1320	1.619	24	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3218	1.403	10	121.2976	1.409	21	121.1320	1.619	24	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2925	1.668	2	121.2976	1.409	21	121.1320	1.619	24	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0626	0.804	8	121.2976	1.409	21	121.1320	1.619	24	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.4030	0.000	1	118.4030	0.000	1	121.1320	1.619	24	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	120.7575	0.866	2	120.7575	0.750	2	121.1320	1.619	24	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	122.0140	0.000	1	122.0140	0.000	1	122.0140	0.000	1	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.4540	0.000	1	120.4540	0.000	1	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)(H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.4400	1.687	2	121.4400	2.846	2	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7595	0.319	4	120.7595	0.101	4	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	119.2390	0.000	1	119.2390	0.000	1	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.7130	0.000	1	121.5047	2.957	3	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9005	1.930	2	121.5047	2.957	3	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.8705	0.630	2	120.4900	0.294	6	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.2998	0.461	4	120.4900	0.294	6	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6450	2.321	2	120.6450	5.386	2	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6160	2.819	2	120.8150	1.650	6	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8110	0.008	2	120.8150	1.650	6	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0180	0.379	2	120.8150	1.650	6	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0525	0.517	2	120.7385	1.128	10	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6850	1.386	6	120.7385	1.128	10	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5850	0.122	2	120.7385	1.128	10	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4765	0.105	2	120.4765	0.011	2	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6235	2.351	2	120.4506	0.875	8	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.3930	0.322	6	120.4506	0.875	8	120.6931	1.061	45	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	122.2550	0.000	1	122.2550	0.000	1	121.9050	0.245	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	121.5550	0.000	1	121.5550	0.000	1	121.9050	0.245	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|Br<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	121.3395	0.795	2	121.3395	0.633	2	121.5757	0.484	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	122.0480	0.000	1	122.0480	0.000	1	121.5757	0.484	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	120.7050	0.000	1	120.7050	0.000	1	120.7050	0.000	1	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(F)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(F){1|C<4>,2|C<3>,3|H<1>}	119.5450	0.218	2	119.5450	0.047	2	119.7633	0.167	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|F<1>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<4>,2|C<3>,3|H<1>}	120.2000	0.000	1	120.2000	0.000	1	119.7633	0.167	3	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	118.5770	0.000	1	118.5770	0.000	1	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	120.2980	0.000	1	120.2980	0.000	1	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|Br<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.3025	0.312	2	121.3025	0.097	2	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.4590	0.000	1	121.4590	0.000	1	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.6410	0.000	1	119.6410	0.000	1	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	122.1120	0.000	1	122.1120	0.000	1	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|F<1>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	123.4310	0.000	1	123.4730	0.251	3	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	123.4940	0.707	2	123.4730	0.251	3	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	119.7900	0.000	1	119.7900	0.000	1	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7050	0.000	1	121.7050	0.000	1	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9380	1.546	2	120.9380	2.389	2	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.0885	0.552	2	120.9257	3.659	8	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|I<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2450	3.848	2	120.9257	3.659	8	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6535	2.925	2	120.9257	3.659	8	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7160	1.205	2	120.9257	3.659	8	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9540	0.925	2	120.9540	0.855	2	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6725	3.175	4	120.7353	6.241	6	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8610	0.957	2	120.7353	6.241	6	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0170	1.517	2	121.0170	2.303	2	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8700	0.035	2	120.8700	0.001	2	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]2)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[6a]C[6a]2)(C[5]C[5]O)(H){2|C<4>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1920	2.172	4	121.1920	4.718	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6375	3.586	2	120.6375	12.858	2	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.7585	2.700	2	120.6100	2.493	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4615	0.315	2	120.6100	2.493	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8305	1.021	4	120.8305	1.042	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.1750	1.424	2	120.4681	2.473	8	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4795	1.399	2	120.4681	2.473	8	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5245	2.995	2	120.4681	2.473	8	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6935	2.019	2	120.4681	2.473	8	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6905	2.200	2	120.6905	4.839	2	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2340	1.594	2	121.2340	2.540	2	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1130	0.877	2	120.6885	0.777	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.2640	0.918	2	120.6885	0.777	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6430	3.241	2	120.6997	6.119	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.7565	2.799	2	120.6997	6.119	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]C)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.2592	3.109	4	120.2592	9.664	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7270	2.188	4	120.7270	4.788	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3810	2.728	2	121.3705	2.787	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3600	0.959	2	121.3705	2.787	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6070	1.936	2	120.9230	2.464	6	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0955	1.517	2	120.9230	2.464	6	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0665	2.443	2	120.9230	2.464	6	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6175	0.964	4	120.6175	0.930	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1305	2.211	6	121.1305	4.888	6	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	119.2190	0.000	1	119.2190	0.000	1	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.7150	0.000	1	121.7150	0.000	1	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.7012	1.494	4	120.7012	2.232	4	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6295	1.611	2	120.6295	2.597	2	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	120.6150	0.000	1	120.6150	0.000	1	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.2200	0.000	1	120.2200	0.000	1	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7155	0.576	2	120.7155	0.332	2	120.8557	2.698	108	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(I)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(I){1|C<4>,2|C<3>,3|H<1>}	122.7990	0.000	1	122.7990	0.000	1	122.7990	0.000	1	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.9210	0.000	1	121.9210	0.000	1	121.9210	0.000	1	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.1550	0.000	1	119.1550	0.000	1	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	117.7260	0.000	1	117.7260	0.000	1	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9750	0.000	1	120.9750	0.000	1	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.4350	0.000	1	117.4350	0.000	1	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.8540	0.000	1	122.8540	0.000	1	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8385	5.426	2	120.8499	7.657	8	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8505	2.850	2	120.8499	7.657	8	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|S<2>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8552	2.312	4	120.8499	7.657	8	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.5570	2.918	2	120.7832	2.675	10	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3240	0.838	4	120.7832	2.675	10	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6025	2.589	2	120.7832	2.675	10	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1085	2.106	2	120.7832	2.675	10	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6905	1.524	2	120.8047	2.572	16	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6390	2.011	2	120.8047	2.572	16	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5355	0.260	4	120.8047	2.572	16	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6945	3.183	2	120.8047	2.572	16	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.7645	1.804	2	120.8047	2.572	16	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6080	1.300	2	120.8047	2.572	16	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9705	3.816	2	120.8047	2.572	16	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9285	2.831	2	120.9285	8.012	2	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8115	2.942	2	120.8115	8.657	2	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.9840	0.000	1	121.9840	0.000	1	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.6450	0.000	1	118.6450	0.000	1	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9260	0.315	2	120.9260	0.099	2	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1640	1.414	2	120.1940	2.103	4	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2240	2.075	2	120.1940	2.103	4	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9485	2.582	2	121.2838	3.899	5	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	122.0130	0.000	1	121.2838	3.899	5	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2545	2.859	2	121.2838	3.899	5	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5005	1.812	2	120.6388	2.216	4	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7770	1.813	2	120.6388	2.216	4	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.3630	0.000	1	122.3630	0.000	1	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|S<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8220	3.335	2	120.7487	6.111	9	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.6260	0.000	1	120.7487	6.111	9	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1045	3.583	2	120.7487	6.111	9	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0435	2.872	2	120.7487	6.111	9	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0860	3.393	2	120.7487	6.111	9	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<2>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7117	1.581	4	120.7117	2.500	4	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0590	2.457	4	121.0590	6.039	4	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]N)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2995	3.088	2	120.2995	9.535	2	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5290	3.439	2	120.3808	4.616	4	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2325	1.389	2	120.3808	4.616	4	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5495	1.636	2	120.5495	2.675	2	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0275	1.617	2	121.0275	2.615	2	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1000	4.196	2	121.1000	17.606	2	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.8805	2.833	2	119.8805	8.028	2	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]S[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]S[5]C)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1905	0.832	2	120.1905	0.693	2	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	114.0030	0.000	1	114.0030	0.000	1	120.6228	4.018	95	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	123.1760	0.000	1	123.1760	0.000	1	120.8526	1.872	18	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4160	0.000	1	120.4160	0.000	1	120.8526	1.872	18	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|F<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.1060	0.000	1	120.1060	0.000	1	120.8526	1.872	18	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|F<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6750	0.000	1	120.5416	0.828	5	120.8526	1.872	18	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7070	1.769	2	120.5416	0.828	5	120.8526	1.872	18	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.3095	0.016	2	120.5416	0.828	5	120.8526	1.872	18	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9380	1.872	2	120.9213	3.499	4	120.8526	1.872	18	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9045	2.644	2	120.9213	3.499	4	120.8526	1.872	18	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1790	2.520	2	121.1790	6.351	2	120.8526	1.872	18	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6290	0.000	1	120.6290	0.000	1	120.8526	1.872	18	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1680	0.000	1	120.7560	2.362	3	120.8526	1.872	18	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0500	2.051	2	120.7560	2.362	3	120.8526	1.872	18	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.4735	1.620	2	120.4735	2.624	2	120.6508	2.397	6	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6720	2.946	2	120.6720	8.678	2	120.6508	2.397	6	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8070	0.754	2	120.8070	0.568	2	120.6508	2.397	6	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2110	0.000	1	121.2110	0.000	1	121.2110	0.000	1	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6650	0.000	1	120.6650	0.000	1	120.5823	7.733	15	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5545	0.989	2	120.5545	0.979	2	120.5823	7.733	15	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7110	3.321	2	120.7110	11.026	2	120.5823	7.733	15	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5412	3.749	4	120.5412	14.058	4	120.5823	7.733	15	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7990	2.792	2	120.7990	7.793	2	120.5823	7.733	15	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7735	3.139	2	120.7735	9.852	2	120.5823	7.733	15	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1140	5.982	2	120.1140	35.786	2	120.5823	7.733	15	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	120.2595	0.129	2	120.2595	0.017	2	120.2595	0.017	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.8070	0.501	2	119.8070	0.251	2	119.8070	0.251	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6730	2.537	2	120.6730	6.437	2	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7295	1.043	2	120.7295	1.088	2	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1175	3.552	2	121.1175	12.615	2	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9790	0.690	2	120.9790	0.476	2	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9090	1.312	2	120.9090	1.722	2	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3290	0.219	2	121.3290	0.048	2	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7170	0.194	2	120.8072	0.348	8	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0675	0.735	2	120.8072	0.348	8	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0540	0.250	2	120.8072	0.348	8	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.3905	1.085	2	120.8072	0.348	8	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8100	1.080	2	120.7261	0.948	34	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.3700	1.597	4	120.7261	0.948	34	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0965	1.375	2	120.7261	0.948	34	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4580	0.696	4	120.7261	0.948	34	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2608	0.816	4	120.7261	0.948	34	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6508	1.064	4	120.7261	0.948	34	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6125	0.333	4	120.7261	0.948	34	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.7302	0.503	4	120.7261	0.948	34	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9065	0.265	2	120.7261	0.948	34	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6835	1.842	4	120.7261	0.948	34	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]N[5]N[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[6]N[5]N[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5010	0.813	2	121.5010	0.661	2	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0040	3.425	2	121.0040	11.732	2	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8395	0.506	2	120.8395	0.256	2	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.5690	0.258	4	120.5690	0.067	4	120.8060	1.132	64	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4150	0.000	1	120.4150	0.000	1	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	123.1350	0.969	2	123.1350	0.938	2	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	121.2145	1.959	2	121.2145	3.839	2	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7965	0.166	2	120.7965	0.028	2	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7150	1.504	4	120.6736	0.976	10	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8025	0.390	2	120.6736	0.976	10	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Cl<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5678	0.765	4	120.6736	0.976	10	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4488	0.559	4	120.4488	0.313	4	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2195	0.962	2	121.2195	0.926	2	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5450	1.764	2	120.5450	3.110	2	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.4100	1.730	2	121.4100	2.991	2	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.7875	2.543	2	120.9300	2.309	4	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0725	0.614	2	120.9300	2.309	4	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]S[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]S[5]N)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0495	2.107	4	121.0495	4.440	4	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4982	1.565	8	120.4982	2.450	8	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7000	0.890	2	120.7000	0.791	2	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8902	0.821	4	120.8902	0.674	4	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7057	1.816	4	120.7057	3.299	4	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.7700	1.047	2	120.7700	1.095	2	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6825	1.271	2	120.6825	1.615	2	120.8453	1.584	57	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.4650	0.000	1	123.4650	0.000	1	122.6405	1.360	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8160	0.000	1	121.8160	0.000	1	122.6405	1.360	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1180	0.000	1	122.1180	0.000	1	122.1180	0.000	1	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|F<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.4500	0.000	1	119.4500	0.000	1	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.3190	0.000	1	121.3190	0.000	1	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5480	0.000	1	120.5480	0.000	1	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|F<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	123.0280	0.000	1	123.0280	0.000	1	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7160	0.000	1	120.7160	0.000	1	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.8310	0.000	1	121.4087	0.465	4	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0940	0.987	2	121.4087	0.465	4	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6160	0.000	1	121.4087	0.465	4	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5080	3.076	2	120.5080	9.461	2	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6340	1.879	2	120.6340	3.532	2	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5895	3.191	2	120.7656	3.984	8	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9505	2.681	2	120.7656	3.984	8	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6355	2.453	2	120.7656	3.984	8	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8870	2.076	2	120.7656	3.984	8	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8070	2.274	2	120.8070	5.171	2	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6370	2.216	2	120.6370	4.911	2	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.3810	0.000	1	118.3810	0.000	1	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.5510	0.000	1	122.5510	0.000	1	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5230	4.452	2	120.6149	4.970	12	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5402	2.524	6	120.6149	4.970	12	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9730	1.622	2	120.6149	4.970	12	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5730	0.247	2	120.6149	4.970	12	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8180	2.933	2	120.8180	8.603	2	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.5290	0.533	2	121.5290	0.284	2	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.3880	0.349	2	120.4524	1.120	18	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2225	0.025	2	120.4524	1.120	18	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4415	2.007	4	120.4524	1.120	18	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3760	1.066	2	120.4524	1.120	18	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7430	0.099	2	120.4524	1.120	18	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6082	0.765	4	120.4524	1.120	18	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2425	0.346	2	120.4524	1.120	18	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]S)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9860	0.891	2	120.9860	0.794	2	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7505	0.039	2	120.7505	0.002	2	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7985	5.706	2	120.6568	11.178	4	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5150	0.948	2	120.6568	11.178	4	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7290	0.963	2	120.7290	0.928	2	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3305	1.691	4	121.1482	2.647	6	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7835	2.064	2	121.1482	2.647	6	120.7479	2.705	77	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.3940	1.131	4	120.3940	1.279	4	120.3940	1.279	4	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.3590	0.000	1	123.3590	0.000	1	123.3590	0.000	1	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.1030	0.000	1	120.1030	0.000	1	120.7551	2.534	11	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6470	1.820	2	120.6470	3.313	2	120.7551	2.534	11	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2880	3.082	2	121.2880	9.496	2	120.7551	2.534	11	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8910	1.146	2	120.8910	1.312	2	120.7551	2.534	11	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7545	1.873	2	120.6377	3.372	4	120.7551	2.534	11	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5210	2.560	2	120.6377	3.372	4	120.7551	2.534	11	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.8720	0.000	1	119.8720	0.000	1	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1060	0.000	1	120.1060	0.000	1	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0392	1.610	4	121.0392	2.591	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5700	0.985	10	120.5700	0.970	10	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3950	2.431	8	120.3950	5.911	8	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7280	1.995	2	120.7280	3.982	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0890	1.674	2	121.0890	2.804	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4130	1.105	2	120.4130	1.220	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6247	0.682	10	120.6247	0.466	10	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.9080	0.000	1	122.9080	0.000	1	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.7120	0.000	1	120.6230	5.914	7	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0155	5.098	2	120.6230	5.914	7	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9045	1.319	4	120.6230	5.914	7	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|I<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6055	1.720	2	120.6055	2.960	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7815	2.753	2	120.7815	7.578	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6215	2.403	4	120.6215	5.773	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0440	1.658	6	121.0440	2.749	6	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2585	1.000	6	121.2585	1.000	6	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5480	4.045	2	120.5480	16.359	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9267	0.486	4	120.8203	2.101	8	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7138	2.153	4	120.8203	2.101	8	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4520	0.509	2	120.7073	1.753	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9625	2.177	2	120.7073	1.753	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8340	2.905	2	120.8340	8.438	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0090	3.838	2	121.0090	14.732	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]O[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4860	3.574	2	120.4860	12.771	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8895	3.495	2	120.8895	12.217	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4980	0.764	2	120.4980	0.583	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Fe<10>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.9115	0.517	2	121.9115	0.267	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4465	1.539	2	120.4465	2.370	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6615	2.474	4	120.6615	6.120	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2165	0.991	2	120.2165	0.981	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3775	1.866	2	120.3775	3.482	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(N[5]C[5]Ni)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(N[5]C[5]Ni)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5718	3.046	4	120.5718	9.276	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8610	2.222	2	120.6658	1.676	8	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6007	1.157	6	120.6658	1.676	8	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8205	3.259	2	120.8269	3.592	12	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8473	2.379	6	120.8269	3.592	12	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0145	0.313	2	120.8269	3.592	12	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5845	0.554	2	120.8269	3.592	12	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3558	2.014	16	120.3558	4.056	16	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8503	1.002	4	120.8503	1.004	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7570	1.731	2	120.7570	2.996	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3110	0.465	2	120.3110	0.216	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4715	3.307	2	120.4715	10.937	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3190	1.895	4	120.3190	3.592	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9110	0.936	2	120.7933	0.788	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6755	1.197	2	120.7933	0.788	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4608	1.607	4	120.4608	2.582	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6462	1.250	8	120.6496	0.879	42	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6055	0.720	12	120.6496	0.879	42	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3610	0.401	4	120.6496	0.879	42	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3218	0.694	4	120.6496	0.879	42	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Ru<9>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9225	2.432	2	120.6496	0.879	42	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2117	0.440	4	120.6496	0.879	42	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6780	1.120	8	120.6496	0.879	42	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8425	3.269	2	120.5954	2.275	34	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<6>,2|H<1>}	120.7215	2.901	2	120.5954	2.275	34	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5450	2.055	8	120.5954	2.275	34	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ir<8>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7045	0.632	4	120.5954	2.275	34	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5985	1.291	8	120.5954	2.275	34	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ru<9>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6470	0.549	2	120.5954	2.275	34	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4820	1.358	8	120.5954	2.275	34	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<8>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.0325	1.559	4	120.0325	2.432	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6342	2.035	12	120.6156	2.638	24	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3758	1.022	4	120.6156	2.638	24	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7078	1.293	8	120.6156	2.638	24	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pt)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pt)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0662	2.113	8	121.0662	4.464	8	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ru<9>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3465	2.210	2	120.2343	1.681	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ru<9>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1220	0.332	2	120.2343	1.681	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6810	1.278	2	120.4209	3.818	20	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7570	1.792	2	120.4209	3.818	20	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3856	2.115	12	120.4209	3.818	20	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2285	2.446	4	120.4209	3.818	20	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3640	3.553	2	120.3865	6.711	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4090	2.741	2	120.3865	6.711	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7119	1.688	9	120.7119	2.850	9	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<8>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4898	1.678	4	120.4898	2.816	4	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9910	0.651	2	119.9910	0.423	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Zn)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Zn<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Zn)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.6515	1.466	2	121.6515	2.149	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4720	2.248	6	120.4720	5.052	6	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6260	2.823	2	120.6260	7.968	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2665	2.005	2	120.2665	4.019	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6810	1.162	2	120.6810	1.351	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1275	0.299	2	121.1275	0.089	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9260	1.006	2	119.9260	1.011	2	120.6316	2.517	339	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.5567	1.528	4	121.4990	1.399	8	121.4990	1.399	8	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4850	1.055	2	121.4990	1.399	8	121.4990	1.399	8	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.3975	1.282	2	121.4990	1.399	8	121.4990	1.399	8	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6970	0.000	1	120.6970	0.000	1	120.6970	0.000	1	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.8610	0.000	1	122.8610	0.000	1	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	123.1730	0.000	1	123.1730	0.000	1	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.2520	0.000	1	123.2520	0.000	1	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9122	0.831	5	120.9122	0.691	5	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6510	1.693	2	120.6510	2.866	2	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0435	0.233	2	121.0435	0.054	2	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4537	0.435	4	120.4537	0.189	4	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9077	0.582	6	120.8104	2.393	14	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1265	2.768	2	120.8104	2.393	14	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6077	2.061	6	120.8104	2.393	14	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0945	3.398	2	120.7425	4.396	4	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3905	1.071	2	120.7425	4.396	4	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.4925	3.092	2	119.4925	9.562	2	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.6975	0.602	2	121.4942	3.375	6	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8925	2.014	4	121.4942	3.375	6	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.2990	0.492	2	118.2990	0.242	2	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4075	3.150	4	120.5209	4.976	14	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4925	2.437	4	120.5209	4.976	14	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6155	1.843	6	120.5209	4.976	14	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1960	0.000	1	120.6047	0.546	3	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3090	0.754	2	120.6047	0.546	3	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.6690	0.000	1	118.6690	0.000	1	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7915	2.989	2	120.7915	8.934	2	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5510	2.577	4	120.5510	6.640	4	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7695	2.449	2	120.7760	4.901	4	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7825	2.951	2	120.7760	4.901	4	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6530	1.922	2	120.6530	3.694	2	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Pt<4>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1432	2.551	8	120.9716	5.578	10	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Rh<6>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2850	1.864	2	120.9716	5.578	10	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3978	0.766	4	120.3978	0.587	4	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|B<3>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5225	2.073	2	120.6630	1.976	4	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|B<3>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8035	1.247	2	120.6630	1.976	4	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4810	2.267	2	120.6219	3.801	52	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6894	1.471	16	120.6219	3.801	52	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<5>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9156	1.765	8	120.6219	3.801	52	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5530	2.168	2	120.6219	3.801	52	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4721	2.386	12	120.6219	3.801	52	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5210	2.447	12	120.6219	3.801	52	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5000	2.884	2	120.5000	8.315	2	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6125	3.625	2	120.6125	13.143	2	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9740	2.236	5	120.9740	4.998	5	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7305	1.794	2	120.7305	3.218	2	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8025	0.245	2	120.8025	0.060	2	120.7029	3.396	157	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|P<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,3|H<1>}	120.6825	0.920	2	120.6825	0.846	2	120.6825	0.846	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[5](N[5,5]C[5,5]C[5]Pd)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,4|C<4>}	C[5](N[5,5]C[5,5]C[5]Pd)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Pd<4>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	125.9265	0.071	2	125.9265	0.005	2	125.9265	0.005	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[6a]Se[5]Se)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Se<1>,1|Se<2>,3|C<3>,3|H<1>}	C[5](P[5]C[6a]Se[5]Se)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,3|H<1>}	120.6985	1.896	2	120.6985	3.594	2	120.6985	3.594	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Rh<6>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|P<4>,2|H<1>}	123.1930	0.000	1	123.1930	0.000	1	123.5100	0.201	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|P<4>,2|H<1>}	123.8270	0.000	1	123.8270	0.000	1	123.5100	0.201	2	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,3|H<1>}	121.1650	1.690	4	121.1650	2.857	4	121.1650	2.857	4	120.7603	2.690	1118	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.1230	0.000	1	118.1230	0.000	1	118.1230	0.000	1	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.9240	0.000	1	123.9240	0.000	1	121.4735	12.010	2	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0230	0.000	1	119.0230	0.000	1	121.4735	12.010	2	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.6010	0.000	1	121.6010	0.000	1	120.9752	0.319	5	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1460	0.000	1	120.8187	0.262	4	120.9752	0.319	5	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8110	0.762	2	120.8187	0.262	4	120.9752	0.319	5	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5070	0.000	1	120.8187	0.262	4	120.9752	0.319	5	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.3980	0.000	1	122.3980	0.000	1	121.8375	0.628	2	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2770	0.000	1	121.2770	0.000	1	121.8375	0.628	2	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.7380	0.000	1	117.7380	0.000	1	117.7380	0.000	1	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Rh<6>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	118.3570	0.000	1	118.3570	0.000	1	119.0210	0.882	2	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	119.6850	0.000	1	119.6850	0.000	1	119.0210	0.882	2	120.5365	2.983	15	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[3,5]C[3,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,3|H<1>}	121.2020	0.000	1	121.2020	0.000	1	121.2020	0.000	1	123.6677	11.859	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	128.7690	0.000	1	128.7690	0.000	1	128.7690	0.000	1	123.6677	11.859	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,3|H<1>}	122.3500	0.051	2	122.3500	0.003	2	122.3500	0.003	2	123.6677	11.859	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Re)	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<6>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Re){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6100	0.000	1	120.8820	0.148	2	120.6287	0.267	3	121.2424	1.363	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Re)	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<7>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Re){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1540	0.000	1	120.8820	0.148	2	120.6287	0.267	3	121.2424	1.363	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2W)	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|P<4>,1|W<7>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2W){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1220	0.000	1	120.1220	0.000	1	120.6287	0.267	3	121.2424	1.363	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.3380	0.000	1	120.3380	0.000	1	120.3380	0.000	1	121.2424	1.363	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.1690	0.000	1	123.1690	0.000	1	122.8650	0.185	2	121.2424	1.363	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.5610	0.000	1	122.5610	0.000	1	122.8650	0.185	2	121.2424	1.363	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.7430	0.000	1	120.7430	0.000	1	120.7430	0.000	1	121.2424	1.363	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.0200	0.000	1	121.0200	0.000	1	121.0200	0.000	1	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,5|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8570	2.590	4	120.8570	6.706	4	120.7265	3.651	8	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[3,5]N[5,6a]C[3]2)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[3,5]N[5,6a]C[3]2)(C[6a]C[6a]2)2(O[5]C[5,6a]){1|N<2>,5|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5960	1.329	4	120.5960	1.766	4	120.7265	3.651	8	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]O)(C[6a]C[6a]H)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1907	1.051	3	121.1907	1.105	3	121.1907	1.105	3	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.0470	2.817	2	121.0470	7.936	2	121.0470	7.936	2	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.6762	2.811	4	120.6762	7.902	4	120.6762	7.902	4	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6]O[5])(C[6a]C[6a]H)2	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[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6]O[5])(C[6a]C[6a]H)2{1|C<2>,1|N<4>,2|C<3>,2|C<4>,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[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9795	3.944	2	120.9795	15.551	2	120.9795	15.551	2	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5]){1|B<4>,1|N<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0500	2.060	4	120.9164	6.676	8	120.7877	5.920	107	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5]){1|N<4>,1|O<2>,2|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7827	3.360	4	120.9164	6.676	8	120.7877	5.920	107	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,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)2(O[5]C[5]){2|C<4>,5|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5041	3.323	8	121.2274	11.389	12	120.7877	5.920	107	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{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)2(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6740	3.921	4	121.2274	11.389	12	120.7877	5.920	107	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Cu<3>,1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1912	2.611	8	120.7153	5.262	87	120.7877	5.920	107	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Ni<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9325	2.526	4	120.7153	5.262	87	120.7877	5.920	107	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7577	2.429	35	120.7153	5.262	87	120.7877	5.920	107	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6192	2.374	16	120.7153	5.262	87	120.7877	5.920	107	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5224	2.059	24	120.7153	5.262	87	120.7877	5.920	107	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5]){1|O<2>,4|C<3>,4|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8657	2.419	4	120.8657	5.853	4	120.8657	5.853	4	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2885	1.770	2	120.2885	3.133	2	120.7207	4.230	8	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8648	2.280	6	120.8648	5.196	6	120.7207	4.230	8	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4347	2.688	4	120.4347	7.228	4	120.5706	3.308	8	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7440	0.925	2	120.7440	0.855	2	120.5706	3.308	8	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{2|H<1>,2|S<2>,4|C<3>}	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6690	0.680	2	120.6690	0.463	2	120.5706	3.308	8	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6]){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8353	0.258	4	120.8353	0.066	4	120.7892	0.476	8	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7433	1.019	4	120.7433	1.039	4	120.7892	0.476	8	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.1925	0.693	4	120.1925	0.480	4	120.1925	0.480	4	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[5]-3:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2S[5])(C[6a]C[6a]H)2{1|S<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5]){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.7087	0.410	4	120.7087	0.168	4	120.7087	0.168	4	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a]){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.6110	2.271	2	119.5110	2.802	4	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a]){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.4110	0.082	2	119.5110	2.802	4	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.7040	0.855	3	120.2734	1.171	5	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.6275	1.353	2	120.2734	1.171	5	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)2(O[5]C[5,6])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)2(O[5]C[5,6]){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7894	2.183	8	120.7894	4.767	8	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	120.9795	1.801	4	120.9795	3.245	4	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7444	1.592	8	120.7444	2.533	8	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5]RuC)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ru<7>,1|C<5>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]RuC)(C[6a]C[6a]2)2(O[5]C[5]){1|Ru<5>,1|Ru<7>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9532	3.264	4	120.8185	6.056	8	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5]RuC)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ru<9>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]RuC)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6838	1.851	4	120.8185	6.056	8	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]B[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]B[5]){1|C<4>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7562	2.525	8	120.7562	6.376	8	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|P<3>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5]){1|Cl<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7692	2.400	8	120.9082	4.365	23	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5]){1|Rh<5>,1|O<2>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9823	1.991	15	120.9082	4.365	23	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2940	0.708	4	121.2940	0.501	4	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8846	2.554	8	120.9188	4.889	16	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9530	1.988	8	120.9188	4.889	16	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|Ni<4>,1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4920	1.871	8	120.4920	3.502	8	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)2(O[5]Ge[5,5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ge<4>,1|N<4>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)2(O[5]Ge[5,5]){1|Pd<4>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9781	2.431	12	120.9781	5.909	12	120.7837	4.039	108	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5]){4|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.9445	2.320	8	120.9445	5.382	8	120.9445	5.382	8	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.2055	1.531	2	120.2055	2.344	2	120.2055	2.344	2	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[5]C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	121.9395	3.232	2	121.9395	10.447	2	121.9395	10.447	2	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7180	0.482	2	120.7180	0.233	2	120.5855	0.635	6	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	120.4115	0.494	2	120.4115	0.244	2	120.5855	0.635	6	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6270	1.612	2	120.6270	2.599	2	120.5855	0.635	6	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]O[5]P[5])(C[6a]C[6a]H)2	C[5](P[5]C[5,6a]CO)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]O[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](P[5]C[5,6a]CO)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	120.6041	0.193	8	120.6041	0.037	8	120.6041	0.037	8	120.7744	4.293	297	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7060	0.000	1	120.7060	0.000	1	120.7060	0.000	1	120.2739	0.124	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a]){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4360	0.013	2	120.4360	0.000	2	120.2018	0.105	6	120.2739	0.124	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.0847	0.347	4	120.0847	0.121	4	120.2018	0.105	6	120.2739	0.124	7	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a]){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.7900	3.026	2	122.7900	9.159	2	122.2280	4.531	4	122.2280	4.531	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6660	1.780	2	121.6660	3.170	2	122.2280	4.531	4	122.2280	4.531	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[3,5]C)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[3,5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.2990	1.520	2	121.2990	2.311	2	121.2990	2.311	2	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:N[5,5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3x5,6]N[5,5a]C[6a])(C[6a]C[6a]H)2	C[5](C[3x5,6]C[5,5,6]C[3x5]C[5,6])(N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3x5,6]N[5,5a]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[3x5,6]C[5,5,6]C[3x5]C[5,6])(N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2{1|N<3>,1|O<1>,2|C<4>,7|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9087	2.987	4	120.9087	8.922	4	120.9087	8.922	4	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5,5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8085	2.904	2	120.8085	8.434	2	120.8085	8.434	2	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]O)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]O)(C[6a]C[6a]2)(CC[6a]O){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.4305	2.625	2	120.4305	6.893	2	120.4305	6.893	2	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]O){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6935	1.736	2	120.6935	3.014	2	120.6935	3.014	2	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O){1|N<3>,6|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2918	3.165	4	121.2918	10.019	4	121.2918	10.019	4	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<1>,2|C<4>,5|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9360	2.170	4	120.9360	4.710	4	120.7210	8.500	8	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]N[5]O[6])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6]N[5]O[6])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5060	3.873	4	120.5060	15.000	4	120.7210	8.500	8	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9535	1.363	2	120.9535	1.857	2	120.9535	1.857	2	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.2715	0.665	4	121.1910	0.451	8	121.1209	0.595	12	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1105	0.771	4	121.1910	0.451	8	121.1209	0.595	12	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9808	1.043	4	120.9808	1.088	4	121.1209	0.595	12	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5]PdC)(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|Pd<5>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5]PdC)(C[6a]C[6a]2)2(C[5]C[5]C){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9543	1.756	4	120.9543	3.084	4	121.0442	4.061	12	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O){6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0892	2.248	8	121.0892	5.053	8	121.0442	4.061	12	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)2(N[5]P[5,5]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)2(N[5]P[5,5]H){2|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	120.8287	2.962	8	120.8287	8.773	8	120.8287	8.773	8	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	118.2300	0.000	2	118.2300	0.000	2	119.5632	2.740	12	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	117.2730	0.000	2	117.2730	0.000	2	119.5632	2.740	12	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(COO){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.1755	1.958	2	120.1755	3.834	2	119.5632	2.740	12	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.7840	1.121	2	120.7840	1.258	2	119.5632	2.740	12	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4585	1.165	4	120.4585	1.356	4	119.5632	2.740	12	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]B[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]B[5]C[5]N[5])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2220	0.007	2	121.2220	0.000	2	121.0935	0.636	4	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]B[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]B[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9650	1.358	2	120.9650	1.843	2	121.0935	0.636	4	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.6635	1.111	2	120.6635	1.234	2	120.9991	1.003	14	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.5825	2.080	2	121.5825	4.325	2	120.9991	1.003	14	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4600	0.465	2	120.4600	0.216	2	120.9991	1.003	14	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9065	0.702	2	120.9065	0.493	2	120.9991	1.003	14	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(CNO){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.3775	0.303	2	121.3775	0.092	2	120.9991	1.003	14	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0018	1.276	4	121.0018	1.629	4	120.9991	1.003	14	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.3560	8.559	2	121.3560	73.253	2	121.3560	73.253	2	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2C[6])(C[6a]C[6a]H)2	C[5](C[6]C[6]2Pd)(C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2C[6])(C[6a]C[6a]H)2{1|Pd<5>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[6]C[6]2Pd)(C[6a]C[6a]2)(C[5]C[5]C)2{4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1090	4.124	2	121.1090	17.006	2	121.1090	17.006	2	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]C)(C[6a]C[6a]H)2	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]C)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]C)(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]C)(COO){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	120.7790	4.684	2	120.7790	21.939	2	120.7790	21.939	2	120.7996	4.652	94	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.9620	0.000	2	126.7825	0.043	4	126.7825	0.043	4	126.7825	0.043	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.6030	0.000	2	126.7825	0.043	4	126.7825	0.043	4	126.7825	0.043	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]N[5]S[5])(C[6a]C[6a]2)(C[5]O[5]O)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]N[5]S[5])(C[6a]C[6a]2)(C[5]O[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1140	2.399	2	121.1140	5.753	2	121.1140	5.753	2	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]B[5,5]C[5]C)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]B[5,5]C[5]C)(C[6a]C[6a]2)2(C[5]O[5]HH){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5690	0.552	4	121.5690	0.305	4	121.5690	0.305	4	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]O)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]O)(CCHH){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3800	2.680	2	120.3800	7.182	2	121.0755	3.799	4	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.7710	1.510	2	121.7710	2.281	2	121.0755	3.799	4	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH){2|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1320	2.701	8	121.1320	7.294	8	121.1320	7.294	8	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.2002	0.584	4	121.2002	0.341	4	121.2002	0.341	4	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)2(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8550	2.843	4	120.8550	8.080	4	120.8550	8.080	4	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6615	2.290	2	120.6615	5.246	2	120.6615	5.246	2	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]P)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(PO3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]P)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(PO3){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|P<4>,2|H<1>}	120.3385	0.629	2	120.3385	0.395	2	120.3385	0.395	2	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.2000	0.174	2	121.2000	0.030	2	121.1283	1.697	6	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0940	0.031	2	121.0940	0.001	2	121.1283	1.697	6	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0910	2.905	2	121.0910	8.438	2	121.1283	1.697	6	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[6a]Si[5]C[5])(C[6a]C[6a]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)2(C[5]C[5]HH){6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.5092	1.686	4	121.5092	2.844	4	121.5092	2.844	4	121.1223	3.088	40	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	120.1740	0.000	1	120.1740	0.000	1	120.1740	0.000	1	119.9697	2.128	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	123.3850	0.000	1	123.3850	0.000	1	123.3850	0.000	1	119.9697	2.128	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a])(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1410	0.044	2	119.8205	0.423	4	119.4526	0.574	7	119.9697	2.128	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a])(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.5000	0.925	2	119.8205	0.423	4	119.4526	0.574	7	119.9697	2.128	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a])(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.9620	0.676	3	118.9620	0.457	3	119.4526	0.574	7	119.9697	2.128	9	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:2:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){2|C<3>,2|C<4>,2|H<1>}	118.3837	0.495	4	118.3837	0.246	4	118.3837	0.246	4	118.3837	0.246	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2	C[5](B[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2{1|C<2>,1|C<4>,1|H<1>,2|F<1>,4|C<3>}	C[5](B[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|C<4>,1|H<1>,2|F<1>}	122.5240	4.176	2	122.5240	17.440	2	122.5240	17.440	2	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	119.6220	0.000	1	119.6220	0.000	1	119.6220	0.000	1	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	122.6470	0.000	1	122.6470	0.000	1	120.9390	1.923	9	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,3|C<4>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7320	2.625	2	120.7320	6.889	2	120.9390	1.923	9	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]N)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]N)(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5115	1.826	2	120.5115	3.336	2	120.9390	1.923	9	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H){3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2135	0.989	2	121.2135	0.979	2	120.9390	1.923	9	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.4450	0.419	2	120.4450	0.175	2	120.9390	1.923	9	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3x5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<4>,5|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7570	4.055	2	121.5205	8.492	4	121.5205	8.492	4	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3x5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<2>,2|H<1>,4|C<4>}	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<4>,5|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2840	2.968	2	121.5205	8.492	4	121.5205	8.492	4	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1185	1.494	2	121.1185	2.232	2	121.1185	2.232	2	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	122.1860	0.000	1	122.1860	0.000	1	122.1860	0.000	1	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.3330	0.000	1	122.3330	0.000	1	122.3330	0.000	1	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,3|H<1>}	120.4070	0.000	1	120.4070	0.000	1	120.4070	0.000	1	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.9920	0.000	1	121.9920	0.000	1	121.4403	5.011	9	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.1400	0.000	1	122.1400	0.000	1	121.4403	5.011	9	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	124.0270	0.000	1	124.0270	0.000	1	121.4403	5.011	9	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.7200	0.000	1	121.4530	4.345	5	121.4403	5.011	9	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9130	2.353	2	121.4530	4.345	5	121.4403	5.011	9	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8595	2.327	2	121.4530	4.345	5	121.4403	5.011	9	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.5390	0.000	1	117.5390	0.000	1	121.4403	5.011	9	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.0760	0.000	1	117.6823	0.331	3	118.5692	3.367	4	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	117.4855	0.655	2	117.6823	0.331	3	118.5692	3.367	4	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.2300	0.000	1	121.2300	0.000	1	118.5692	3.367	4	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	125.8243	0.554	4	125.8243	0.307	4	125.8243	0.307	4	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	122.1230	0.000	1	122.1230	0.000	1	122.9435	1.346	2	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	123.7640	0.000	1	123.7640	0.000	1	122.9435	1.346	2	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,3|C<4>}	122.6630	0.000	1	122.6630	0.000	1	122.1550	0.479	6	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	121.1530	0.000	1	121.8560	0.988	2	122.1550	0.479	6	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.5590	0.000	1	121.8560	0.988	2	122.1550	0.479	6	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.9320	0.000	1	121.9320	0.000	1	122.1550	0.479	6	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.9720	0.000	1	122.9720	0.000	1	122.1550	0.479	6	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|Cl<1>,1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	121.6510	0.000	1	121.6510	0.000	1	122.1550	0.479	6	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,3|H<1>}	122.6270	0.000	1	122.6270	0.000	1	119.7672	4.072	5	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,3|H<1>}	120.2715	0.334	2	120.2715	0.112	2	119.7672	4.072	5	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(F)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(F){1|C<3>,2|C<4>,3|H<1>}	117.8330	0.082	2	117.8330	0.007	2	119.7672	4.072	5	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.7770	0.000	1	118.7770	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.5050	0.000	1	121.5050	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	119.6090	0.000	1	119.6090	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.0980	0.000	1	121.0470	1.801	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.9960	0.000	1	121.0470	1.801	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.4680	0.000	1	121.7155	1.133	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	120.9630	0.000	1	121.7155	1.133	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	122.1690	0.000	1	122.1690	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1260	0.000	1	121.1260	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|Cl<1>,1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.5770	0.000	1	121.5770	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	122.2600	0.000	1	122.2600	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	123.2620	0.305	2	123.2620	0.093	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	126.5340	0.117	2	126.5340	0.014	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0530	0.000	1	121.0530	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.2560	0.000	1	123.2560	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0170	0.000	1	121.0170	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	123.1900	0.000	1	123.1900	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8833	3.128	4	120.8924	8.371	8	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1720	3.421	2	120.8924	8.371	8	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.6310	4.152	2	120.8924	8.371	8	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	122.5890	0.000	1	122.5890	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	123.1180	0.000	1	123.1180	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.8850	0.000	1	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3260	3.103	2	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.7720	6.179	2	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.4590	0.000	1	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.2850	0.000	1	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3120	2.800	2	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9522	1.817	4	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.8912	2.800	4	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.7025	2.246	2	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7883	1.562	4	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.8425	2.545	2	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1060	1.567	2	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1510	2.292	2	120.9166	4.577	29	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	123.3470	0.000	1	123.3470	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.1265	2.740	2	120.1265	7.508	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1525	2.739	2	121.1525	7.500	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.4810	1.375	2	120.4810	1.890	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9310	0.842	4	120.9437	0.522	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9690	0.694	2	120.9437	0.522	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7560	1.896	2	120.7560	3.597	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1225	2.119	2	121.1225	4.491	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0683	3.294	4	121.0683	10.854	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0955	4.334	2	121.2075	8.919	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>,4|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3195	2.815	2	121.2075	8.919	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9368	1.960	4	120.9284	3.061	30	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5472	1.148	4	120.9284	3.061	30	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2375	1.769	4	120.9284	3.061	30	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8580	2.141	10	120.9284	3.061	30	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1857	1.843	6	120.9284	3.061	30	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.6360	2.018	2	120.9284	3.061	30	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|S<2>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2040	2.246	4	120.9488	5.410	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,3|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4385	3.337	2	120.9488	5.410	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3165	3.046	2	121.3165	9.275	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7895	3.309	2	120.7895	10.947	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8310	1.643	2	120.8310	2.700	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9545	1.776	2	120.9545	3.153	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0560	1.622	2	121.0560	2.631	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9745	0.063	2	120.9745	0.004	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.2680	2.715	2	121.7922	7.517	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3165	3.778	2	121.7922	7.517	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.4520	2.782	2	121.4520	7.738	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4090	1.643	4	121.3690	2.903	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2890	2.530	2	121.3690	2.903	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.8125	5.105	2	121.8125	26.057	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0425	2.812	2	121.1516	3.613	10	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1789	1.874	8	121.1516	3.613	10	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.6675	1.436	8	120.6675	2.062	8	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.6605	4.382	2	121.6605	19.201	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0155	2.126	2	121.0155	4.521	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1977	3.702	4	121.2068	12.028	10	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1058	4.282	4	121.2068	12.028	10	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4270	3.463	2	121.2068	12.028	10	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.9145	4.417	2	120.9224	10.096	8	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7968	3.649	4	120.9224	10.096	8	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1815	3.320	2	120.9224	10.096	8	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3875	3.586	2	120.8050	6.967	10	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0265	4.728	2	120.8050	6.967	10	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7588	2.361	4	120.8050	6.967	10	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0935	3.186	2	120.8050	6.967	10	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7925	1.504	6	120.7925	2.262	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2280	3.333	2	121.2280	11.111	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2325	3.184	2	121.0560	6.843	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8795	3.204	2	121.0560	6.843	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	124.6230	0.000	1	124.6230	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.5260	0.000	1	117.5260	0.000	1	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4195	3.731	2	120.4195	13.923	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.4322	2.835	4	121.4017	5.405	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.3405	1.702	2	121.4017	5.405	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2240	3.978	2	121.0517	7.822	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2150	2.656	2	121.0517	7.822	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7160	3.987	2	121.0517	7.822	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|Br<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	120.3047	2.114	4	120.3047	4.470	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.6670	2.796	4	120.9072	4.464	20	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2705	2.351	2	120.9072	4.464	20	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9389	2.130	10	120.9072	4.464	20	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.8310	2.430	2	120.9072	4.464	20	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9420	2.930	2	120.9072	4.464	20	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9650	2.852	2	120.9650	8.137	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7225	1.664	4	120.7225	2.769	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0875	2.647	2	121.1782	3.487	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2235	1.862	4	121.1782	3.487	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0420	3.521	2	120.9352	6.709	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9700	2.957	2	120.9352	6.709	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7935	3.512	2	120.9352	6.709	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5810	2.662	4	120.8992	5.407	10	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1085	3.518	2	120.8992	5.407	10	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<1>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1128	2.188	4	120.8992	5.407	10	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1450	5.394	2	121.0505	7.172	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.0033	1.499	4	121.0505	7.172	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4485	3.249	2	121.4485	10.557	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7930	2.055	2	121.1357	4.738	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.8070	2.461	4	121.1357	4.738	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6100	2.557	2	120.6100	6.538	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<2>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9490	2.834	2	120.9490	8.032	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.9855	4.502	2	121.6757	12.577	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.5208	3.756	4	121.6757	12.577	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6045	2.443	2	120.6045	5.969	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0495	2.323	2	121.0495	5.396	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|N<2>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9380	1.838	4	120.9380	3.378	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CC)(H){2|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2835	4.198	2	121.2835	17.624	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,2|C<4>,3|H<1>}	122.8780	0.495	2	122.8780	0.245	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.1560	0.313	2	120.5472	4.049	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0720	3.000	2	120.5472	4.049	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4135	2.286	2	120.5472	4.049	6	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4485	2.266	2	121.0255	2.827	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.6025	1.621	2	121.0255	2.827	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.5207	2.301	4	121.5207	5.293	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5550	3.059	2	120.6479	5.408	8	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.6035	3.178	2	120.6479	5.408	8	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7165	2.474	4	120.6479	5.408	8	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.5567	1.623	4	120.5567	2.633	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9575	2.147	2	121.2455	2.816	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5335	1.872	2	121.2455	2.816	4	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5040	4.155	2	121.5040	17.264	2	121.0814	4.693	343	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	120.7655	5.320	2	120.7655	28.298	2	120.7655	28.298	2	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	123.5340	0.000	1	123.5340	0.000	1	123.5340	0.000	1	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Br<1>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	121.4010	0.000	1	121.4010	0.000	1	121.4010	0.000	1	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	121.4510	0.000	1	121.7400	0.373	5	121.7247	0.300	6	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.1570	0.000	1	121.7400	0.373	5	121.7247	0.300	6	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	120.9830	0.000	1	121.7400	0.373	5	121.7247	0.300	6	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.0545	0.681	2	121.7400	0.373	5	121.7247	0.300	6	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	121.6480	0.000	1	121.6480	0.000	1	121.7247	0.300	6	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	118.7200	0.000	1	118.7200	0.000	1	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Br<1>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.7890	0.000	1	121.7890	0.000	1	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9990	0.000	1	120.9990	0.000	1	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.9350	0.733	2	119.9350	0.537	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,5|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	115.5680	0.000	1	115.5680	0.000	1	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.2780	0.000	1	122.5026	0.462	5	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	121.8580	0.000	1	122.5026	0.462	5	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	123.1260	0.000	1	122.5026	0.462	5	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	122.6255	0.981	2	122.5026	0.462	5	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.3440	0.000	1	122.3440	0.000	1	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.2420	0.000	1	119.2420	0.000	1	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<4>,3|H<1>}	120.5000	0.000	1	120.5000	0.000	1	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.4680	0.297	2	123.8455	0.402	4	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	124.2230	0.740	2	123.8455	0.402	4	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	124.7453	0.231	3	124.7453	0.053	3	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.2591	1.675	12	121.3042	3.676	74	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3696	2.046	8	121.3042	3.676	74	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.3598	1.844	8	121.3042	3.676	74	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0954	2.023	12	121.3042	3.676	74	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3972	2.112	4	121.3042	3.676	74	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2670	1.731	2	121.3042	3.676	74	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1950	2.518	4	121.3042	3.676	74	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	122.0425	2.150	2	121.3042	3.676	74	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2668	1.411	4	121.3042	3.676	74	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.5725	4.096	2	121.3042	3.676	74	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3144	2.263	12	121.3042	3.676	74	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.3618	2.468	4	121.3042	3.676	74	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0250	2.587	2	121.2384	3.865	16	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1525	2.904	2	121.2384	3.865	16	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.0740	2.285	2	121.2384	3.865	16	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4210	2.959	2	121.2384	3.865	16	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1535	2.329	4	121.2384	3.865	16	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.7135	1.879	2	121.2384	3.865	16	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2140	2.893	2	121.2384	3.865	16	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2545	2.075	2	121.0802	4.427	10	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0300	1.500	4	121.0802	4.427	10	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9810	4.893	2	121.0802	4.427	10	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1055	2.180	2	121.0802	4.427	10	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3000	0.103	2	121.0898	0.420	4	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8795	1.036	2	121.0898	0.420	4	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8183	2.433	4	120.8183	5.917	4	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9620	0.719	6	121.1182	1.491	10	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1505	3.119	2	121.1182	1.491	10	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.5545	0.762	2	121.1182	1.491	10	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7145	0.262	2	121.7145	0.069	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0165	2.860	2	121.0165	8.181	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3822	3.001	4	121.5584	7.188	8	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.7345	2.772	4	121.5584	7.188	8	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<3>,3|C<3>,3|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8460	1.534	2	120.8460	2.354	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2515	2.971	4	121.3362	7.174	6	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5055	3.051	2	121.3362	7.174	6	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2420	5.011	2	121.2420	25.106	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7180	2.441	2	120.7180	5.958	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1770	6.196	2	121.1770	38.386	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4440	2.437	2	120.4440	5.937	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6145	1.005	2	120.6145	1.010	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.2595	0.612	2	120.2595	0.374	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5620	2.779	2	120.5620	7.722	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.6430	1.546	2	121.6430	2.389	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0430	1.970	2	121.2448	3.723	4	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4465	2.669	2	121.2448	3.723	4	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2715	3.262	2	121.2715	10.640	2	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9848	2.088	4	120.9848	4.358	4	121.2947	4.074	185	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.4250	2.377	2	120.4250	5.652	2	120.7020	5.467	4	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H){1|Fe<6>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.9790	3.231	2	120.9790	10.442	2	120.7020	5.467	4	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:P[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.0125	2.985	2	121.0125	8.908	2	121.0125	8.908	2	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.8520	2.698	2	120.8520	7.281	2	120.8520	7.281	2	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<6>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	120.8890	0.000	1	120.8890	0.000	1	121.0994	4.917	15	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]CuH)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cu<4>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5]CuH)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	120.8675	3.597	2	120.8675	12.939	2	121.0994	4.917	15	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<8>,1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.8727	2.233	4	120.8727	4.987	4	121.0994	4.917	15	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Rh<8>,1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.6020	3.218	4	120.6020	10.358	4	121.0994	4.917	15	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	122.0780	0.611	2	122.0780	0.373	2	121.0994	4.917	15	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	121.9060	2.219	2	121.9060	4.924	2	121.0994	4.917	15	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|C<3>,3|C<4>,4|H<1>}	C[5](P[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.0294	0.915	8	121.0294	0.836	8	120.9327	2.549	77	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5]PtC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,3|C<4>,4|H<1>}	C[5](P[5]C[5]PtC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.9481	1.177	8	120.9481	1.385	8	120.9327	2.549	77	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Rh<4>,1|C<3>,3|C<4>,4|H<1>}	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.1553	1.043	29	121.0934	1.256	37	120.9327	2.549	77	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Rh<6>,1|C<3>,3|C<4>,4|H<1>}	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.8688	1.428	8	121.0934	1.256	37	120.9327	2.549	77	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Ru<7>,1|C<3>,3|C<4>,4|H<1>}	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.1134	2.427	8	121.1134	5.892	8	120.9327	2.549	77	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.8495	1.039	2	120.9193	1.489	4	120.9327	2.549	77	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.9890	1.836	2	120.9193	1.489	4	120.9327	2.549	77	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.0960	3.186	2	121.0960	10.152	2	120.9327	2.549	77	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Rh<4>,2|C<3>,2|C<4>,4|H<1>}	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.0419	1.995	8	121.0419	3.981	8	120.9327	2.549	77	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<7>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	117.4890	0.000	1	117.4890	0.000	1	120.9327	2.549	77	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,3|C<4>,4|H<1>}	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Si<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	114.9420	0.000	1	114.9420	0.000	1	120.9327	2.549	77	121.1510	4.339	690	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.8380	0.000	1	119.8380	0.000	1	120.9020	2.264	2	121.5721	7.405	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	121.9660	0.000	1	121.9660	0.000	1	120.9020	2.264	2	121.5721	7.405	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:S[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OSi)	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2{1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OSi){1|C<3>,1|C<4>,1|H<1>,1|S<4>,2|O<2>}	118.7995	0.144	2	118.7995	0.021	2	121.6765	11.156	4	121.5721	7.405	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:S[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2{1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|S<4>,2|O<2>}	124.5535	0.582	2	124.5535	0.339	2	121.6765	11.156	4	121.5721	7.405	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	122.6570	0.000	1	122.6570	0.000	1	122.0926	10.152	5	121.5721	7.405	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.9030	4.428	2	121.9515	13.404	4	122.0926	10.152	5	121.5721	7.405	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	122.0000	4.538	2	121.9515	13.404	4	122.0926	10.152	5	121.5721	7.405	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMo)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<6>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMo){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	119.8920	0.000	1	119.8920	0.000	1	119.8920	0.000	1	121.5721	7.405	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	123.3610	0.000	1	123.3610	0.000	1	123.3610	0.000	1	123.3610	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.3580	0.000	1	122.2970	0.012	3	121.0775	2.390	6	121.4859	3.126	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.2665	0.135	2	122.2970	0.012	3	121.0775	2.390	6	121.4859	3.126	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9460	0.000	1	119.7380	2.919	2	121.0775	2.390	6	121.4859	3.126	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.5300	0.000	1	119.7380	2.919	2	121.0775	2.390	6	121.4859	3.126	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.0980	0.000	1	120.0980	0.000	1	121.0775	2.390	6	121.4859	3.126	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	120.9680	0.000	1	120.9680	0.000	1	121.0593	0.359	3	121.4859	3.126	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	121.1050	0.840	2	121.1050	0.706	2	121.0593	0.359	3	121.4859	3.126	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SiC[6a]2Ru)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,3|C<4>,4|H<1>}	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Si<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SiC[6a]2Ru){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	125.2160	0.000	1	125.2160	0.000	1	125.2160	0.000	1	121.4859	3.126	10	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:4:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,5|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6]C[6,6a]2H)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	124.8450	0.000	1	124.8450	0.000	1	124.8450	0.000	1	124.8450	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5,6,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	123.6040	0.000	1	123.6040	0.000	1	123.6040	0.000	1	123.6040	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8165	0.299	2	120.8165	0.089	2	120.8165	0.089	2	120.9197	1.592	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8980	0.865	2	120.8980	0.749	2	121.1198	2.689	6	120.9197	1.592	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.7255	3.000	2	121.7255	9.002	2	121.1198	2.689	6	120.9197	1.592	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7360	1.602	2	120.7360	2.567	2	121.1198	2.689	6	120.9197	1.592	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6710	1.075	4	120.6710	1.156	4	120.6710	1.156	4	120.9197	1.592	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.0710	3.045	2	121.0710	9.271	2	121.0710	9.271	2	121.0748	2.306	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.8575	0.207	2	120.8575	0.043	2	120.8575	0.043	2	121.0748	2.306	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7500	1.689	2	120.9777	2.884	6	120.9777	2.884	6	121.0748	2.306	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0915	1.950	4	120.9777	2.884	6	120.9777	2.884	6	121.0748	2.306	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:C[5]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]Si[5]C[5]C[6])(C[6a]C[6a]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[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]Si[5]C[5]C[6])(C[6a]C[6a]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[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.5875	0.978	2	121.5875	0.956	2	121.5875	0.956	2	121.0748	2.306	12	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,3|H<1>,4|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,4|C<4>}	123.7120	0.000	1	123.7120	0.000	1	123.7120	0.000	1	121.4760	4.500	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(CH3){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2405	1.949	2	121.2405	3.801	2	120.9170	3.917	4	121.4760	4.500	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|H<1>,3|C<4>}	122.5340	0.000	1	122.5340	0.000	1	120.9170	3.917	4	121.4760	4.500	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	118.6530	0.000	1	118.6530	0.000	1	120.9170	3.917	4	121.4760	4.500	5	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:3:4:4:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,3|H<1>,4|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|C<4>}	121.7490	0.000	1	121.7490	0.000	1	121.7490	0.000	1	121.7490	0.000	1	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[5]C[3,5]C[5,6]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a])(H)	C[6a](C[5]C[3,5]C[5,6]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.1870	0.000	1	124.1870	0.000	1	124.1870	0.000	1	121.7213	4.886	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.4885	0.808	2	120.4885	0.653	2	120.4885	0.653	2	121.7213	4.886	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,3|H<1>,4|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	121.2315	1.404	2	121.2315	1.970	2	121.2315	1.970	2	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5,5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[3,5]C[5,5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|O<2>,4|C<4>}	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|C<3>,4|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.0950	0.000	1	118.0950	0.000	1	118.0950	0.000	1	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]C[5,6]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]C[5,6]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	119.0460	0.000	1	119.0460	0.000	1	119.0460	0.000	1	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:P[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[3,5]P[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5,5]C[3,5]C)(P[5]C[5,5]OW)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[3,5]P[5]H)(C[6a]C[6a]H)2{1|O<2>,1|W<6>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(P[5]C[5,5]OW)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.5970	3.227	2	120.5970	10.415	2	120.5970	10.415	2	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0020	0.788	2	120.9647	4.461	4	120.9647	4.461	4	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9275	3.572	2	120.9647	4.461	4	120.9647	4.461	4	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6,6]C[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2035	1.364	2	121.2035	1.861	2	121.2035	1.861	2	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,3|H<1>}	121.0520	0.000	1	121.0520	0.000	1	121.0520	0.000	1	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	122.8090	0.000	1	122.8090	0.000	1	121.3245	3.205	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4070	2.468	2	121.3108	3.476	12	121.3245	3.205	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5445	2.286	2	121.3108	3.476	12	121.3245	3.205	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2865	2.515	4	121.3108	3.476	12	121.3245	3.205	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0160	2.277	2	121.3108	3.476	12	121.3245	3.205	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.3245	1.568	2	121.3108	3.476	12	121.3245	3.205	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6640	1.887	2	120.6640	3.559	2	121.3245	3.205	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.0920	0.000	1	120.0920	0.000	1	120.9140	2.824	9	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.1295	2.566	2	121.0168	3.119	8	120.9140	2.824	9	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8630	1.983	4	121.0168	3.119	8	120.9140	2.824	9	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2115	1.804	2	121.0168	3.119	8	120.9140	2.824	9	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	123.5280	0.000	1	123.5280	0.000	1	123.5280	0.000	1	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|S<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	121.3640	0.000	1	121.3425	0.001	2	122.1337	0.835	4	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	121.3210	0.000	1	121.3425	0.001	2	122.1337	0.835	4	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.9250	0.000	2	122.9250	0.000	2	122.1337	0.835	4	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.3490	0.000	1	120.3490	0.000	1	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|S<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.5760	0.000	1	122.3245	0.127	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.0730	0.000	1	122.3245	0.127	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0530	0.000	2	121.0530	0.000	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.8480	0.000	1	123.8480	0.000	1	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8730	3.947	2	120.8730	15.579	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8535	3.027	2	121.0795	6.397	20	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|S<2>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0930	3.274	2	121.0795	6.397	20	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|S<2>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1195	3.276	6	121.0795	6.397	20	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|S<2>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3415	3.255	2	121.0795	6.397	20	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.9415	0.915	4	121.0795	6.397	20	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7505	1.739	2	121.0795	6.397	20	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.5155	5.564	2	121.0795	6.397	20	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1005	3.178	2	121.1005	10.103	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.5120	0.000	1	119.5120	0.000	1	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.6030	0.000	1	122.6030	0.000	1	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0555	3.238	2	121.0555	10.484	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1570	3.801	2	121.1570	14.451	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2245	2.737	2	121.2245	7.492	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3810	2.222	2	121.3810	4.936	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7215	3.736	4	120.8365	14.878	10	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,5|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0155	4.457	2	120.8365	14.878	10	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,2|O<1>,3|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.8620	4.900	4	120.8365	14.878	10	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3980	3.837	4	121.3980	14.723	4	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.3770	5.057	2	121.3770	25.576	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7595	5.329	2	120.7878	14.179	4	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.8160	3.759	2	120.7878	14.179	4	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8850	4.728	2	120.8850	22.351	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5]3)2(C[6a]C[6a]2)(H){2|C<4>,2|N<2>,2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4805	5.245	2	121.4805	27.506	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1965	2.420	2	121.1965	5.858	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|O<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8135	2.768	2	120.8135	7.664	2	121.1302	7.650	68	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,3|H<1>}	120.8370	0.000	1	120.8370	0.000	1	120.8370	0.000	1	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,3|H<1>}	120.4520	0.000	1	120.4520	0.000	1	120.4520	0.000	1	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.7720	0.000	1	121.7720	0.000	1	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	124.9920	0.000	1	124.9920	0.000	1	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9860	3.002	2	120.9655	6.997	4	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9450	3.461	2	120.9655	6.997	4	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5493	3.027	4	121.5493	9.161	4	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9145	2.710	2	120.9145	7.346	2	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2670	3.988	2	121.2670	15.905	2	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0475	1.969	2	121.0475	3.878	2	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0247	5.110	4	121.1380	15.994	6	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|S<1>,3|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3645	1.220	2	121.1380	15.994	6	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7260	2.260	2	120.7260	5.107	2	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.4280	0.709	2	121.2536	3.340	26	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.9115	3.205	2	121.2536	3.340	26	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9445	1.931	4	121.2536	3.340	26	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5247	1.357	4	121.2536	3.340	26	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5020	3.192	2	121.2536	3.340	26	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.0555	3.501	2	121.2536	3.340	26	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3655	2.425	2	121.2536	3.340	26	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2335	3.591	2	121.2536	3.340	26	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2825	1.798	2	121.2536	3.340	26	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2897	1.858	4	121.2536	3.340	26	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2845	3.734	2	121.4939	8.440	8	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.6500	2.290	2	121.4939	8.440	8	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.9020	4.678	2	121.4939	8.440	8	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1390	4.158	2	121.4939	8.440	8	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2185	4.129	2	121.2185	17.047	2	121.3090	5.703	60	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.3490	0.000	1	120.3490	0.000	1	120.3490	0.000	1	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	124.5010	0.000	1	124.5010	0.000	1	123.5125	0.459	4	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	123.0720	0.007	2	123.0720	0.000	2	123.5125	0.459	4	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	123.4050	0.000	1	123.4050	0.000	1	123.5125	0.459	4	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|O<2>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.6210	0.000	1	122.6210	0.000	1	122.0990	0.220	6	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.4100	0.000	1	121.4100	0.000	1	122.0990	0.220	6	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.1450	0.000	1	122.1450	0.000	1	122.0990	0.220	6	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.2730	0.000	1	122.2730	0.000	1	122.0990	0.220	6	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.0725	0.565	2	122.0725	0.319	2	122.0990	0.220	6	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	119.9440	0.000	1	119.9440	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.5815	0.234	2	120.5815	0.055	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	119.5720	0.000	1	119.5720	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	118.8080	0.000	1	118.8080	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|O<2>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	122.3060	0.000	1	122.3060	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	123.4120	0.000	1	123.4120	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.4110	0.000	1	121.4110	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.5950	0.000	1	121.5950	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.4625	0.596	2	121.4625	0.355	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.6250	0.000	1	122.6250	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9745	0.390	2	120.9745	0.152	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1785	1.720	2	121.1785	2.960	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1300	2.645	2	121.1300	6.994	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3980	2.489	2	121.6100	7.483	4	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.8220	4.009	2	121.6100	7.483	4	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1395	0.910	2	121.1395	0.828	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.0810	0.000	1	120.8072	2.307	5	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0105	2.925	2	120.8072	2.307	5	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9670	0.096	2	120.8072	2.307	5	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	121.5980	0.000	1	121.5980	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	123.0960	0.000	1	123.0960	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.4120	0.000	1	118.4120	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	117.9160	0.000	1	117.9160	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.0470	2.915	2	121.6173	5.545	9	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3600	2.735	2	121.6173	5.545	9	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.3800	2.620	4	121.6173	5.545	9	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	124.2220	0.000	1	121.6173	5.545	9	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.2740	3.808	2	121.2700	9.194	4	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2660	3.616	2	121.2700	9.194	4	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1935	2.280	2	121.1935	5.200	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0686	2.268	18	121.0686	5.144	18	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.0733	2.395	4	121.0733	5.734	4	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.4240	5.138	2	121.2890	13.445	4	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1540	3.724	2	121.2890	13.445	4	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7315	2.378	4	120.7315	5.655	4	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	122.4010	0.000	1	122.4010	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.4890	0.000	1	119.4890	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.8170	1.967	2	120.8170	3.870	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1072	2.461	4	121.1072	6.058	4	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7505	1.855	2	120.7505	3.440	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>,3|N<3>}	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.1370	0.000	1	119.1370	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>,3|N<3>}	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	122.7090	0.000	1	122.7090	0.000	1	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9345	3.820	2	120.9826	5.450	8	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.0025	2.879	2	120.9826	5.450	8	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9967	2.256	4	120.9826	5.450	8	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.5360	0.000	1	121.1113	0.969	19	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5980	0.000	1	121.1113	0.969	19	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.9030	0.444	2	121.1113	0.969	19	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8155	1.435	2	121.1113	0.969	19	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.8305	0.515	2	121.1113	0.969	19	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2845	1.524	2	121.1113	0.969	19	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.6925	1.545	4	121.1113	0.969	19	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1086	0.473	5	121.1113	0.969	19	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5140	0.000	1	121.2070	0.188	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9000	0.000	1	121.2070	0.188	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9910	2.284	2	121.1568	4.647	4	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3225	2.935	2	121.1568	4.647	4	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1475	0.175	2	121.1475	0.031	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9345	1.238	2	120.9345	1.533	2	121.0962	3.459	127	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.5525	3.621	2	120.5525	13.112	2	120.5525	13.112	2	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8727	3.613	4	120.8727	13.056	4	120.8315	9.267	6	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7490	2.673	2	120.7490	7.144	2	120.8315	9.267	6	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.2760	0.000	1	122.2760	0.000	1	122.2760	0.000	1	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	122.4450	0.000	1	122.4450	0.000	1	121.4735	5.823	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.1545	2.543	2	121.3654	2.300	8	121.4735	5.823	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6505	1.626	2	121.3654	2.300	8	121.4735	5.823	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2910	2.117	2	121.3654	2.300	8	121.4735	5.823	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.3655	1.498	2	121.3654	2.300	8	121.4735	5.823	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2255	2.334	2	121.4557	12.875	6	121.4735	5.823	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3575	4.980	2	121.4557	12.875	6	121.4735	5.823	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.7840	5.812	2	121.4557	12.875	6	121.4735	5.823	15	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.2570	0.328	2	122.2570	0.108	2	122.2570	0.108	2	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	117.8820	0.321	2	117.8820	0.103	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.7165	0.722	2	121.7165	0.521	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.5030	0.000	1	119.5030	0.000	1	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	122.7070	0.334	2	122.7070	0.111	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2165	3.082	2	121.2165	9.500	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1135	2.075	2	121.1135	4.307	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4465	1.566	2	121.2795	3.016	6	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2105	2.664	2	121.2795	3.016	6	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1815	2.334	2	121.2795	3.016	6	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1095	2.835	2	121.1095	8.036	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8345	3.004	2	120.8345	9.027	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.3640	1.478	2	121.3640	2.184	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1683	2.093	4	121.1683	4.382	4	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1365	2.039	2	121.1365	4.156	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3370	4.166	2	121.3370	17.358	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0590	2.934	2	120.9073	3.901	4	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7555	1.732	2	120.9073	3.901	4	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.4135	0.467	2	121.4135	0.218	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.0545	3.468	2	122.0545	12.030	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7050	1.767	4	120.7050	3.124	4	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1085	1.998	2	120.9719	2.784	8	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7660	1.342	2	120.9719	2.784	8	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1765	2.440	2	120.9719	2.784	8	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8365	2.739	2	120.9719	2.784	8	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3600	2.863	4	120.8702	7.347	5	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.9110	0.000	1	120.8702	7.347	5	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	122.7930	0.000	1	122.7930	0.000	1	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1615	3.275	2	121.1615	10.723	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9778	0.756	4	120.9778	0.572	4	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8844	1.959	8	120.8844	3.837	8	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0775	1.131	2	121.0775	1.278	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4240	3.444	2	121.4240	11.858	2	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0910	2.304	4	121.0664	3.982	7	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3890	0.000	1	121.0664	3.982	7	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3560	2.710	2	121.0664	3.982	7	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8980	0.000	1	120.8980	0.000	1	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9163	1.252	4	120.9163	1.567	4	121.0498	3.293	87	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2550	2.881	2	121.2550	8.299	2	120.8978	4.741	6	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7192	2.238	4	120.7192	5.008	4	120.8978	4.741	6	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1530	2.345	4	121.1530	5.499	4	121.1530	5.499	4	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.5385	4.455	2	120.5385	19.851	2	120.6035	6.807	4	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[5]FeH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Fe<6>,1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]FeH)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.6685	0.743	2	120.6685	0.552	2	120.6035	6.807	4	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:Si[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	121.4015	1.436	2	121.4015	2.062	2	121.4015	2.062	2	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6]N[5,6,6]H)(C[6a]C[6a]H)2	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6]N[5,6,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,5|H<1>,6|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.3265	3.511	2	120.3265	12.326	2	120.3265	12.326	2	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Se<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.8825	1.739	4	120.8795	3.833	6	120.8795	3.833	6	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Se<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|Se<2>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.8735	3.177	2	120.8795	3.833	6	120.8795	3.833	6	121.1602	4.418	447	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1	120.4797	10.511	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.0420	0.000	1	119.0420	0.000	1	119.0420	0.000	1	120.4797	10.511	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(N[6a]C[6a,6a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	124.1920	0.000	1	124.1920	0.000	1	124.1920	0.000	1	120.4797	10.511	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,2|C<4>,3|H<1>}	123.8820	0.631	2	123.8820	0.398	2	123.8820	0.398	2	124.2097	0.521	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	124.8650	0.000	1	124.8650	0.000	1	124.8650	0.000	1	124.2097	0.521	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[3,5]C[5,5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH)	C[6a](C[5]C[3,5]C[5,5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|O<2>,4|C<4>}	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7610	0.000	1	121.7610	0.000	1	121.7610	0.000	1	121.6723	0.198	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	121.6723	0.198	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	122.0660	0.000	1	122.0660	0.000	1	122.0660	0.000	1	121.6723	0.198	3	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0799	2.102	8	121.0555	4.077	12	121.0639	3.943	18	121.0639	3.943	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.7575	3.036	2	121.0555	4.077	12	121.0639	3.943	18	121.0639	3.943	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.2560	2.103	2	121.0555	4.077	12	121.0639	3.943	18	121.0639	3.943	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.2235	2.519	2	121.0807	4.437	6	121.0639	3.943	18	121.0639	3.943	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.3995	2.529	2	121.0807	4.437	6	121.0639	3.943	18	121.0639	3.943	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6190	2.961	2	121.0807	4.437	6	121.0639	3.943	18	121.0639	3.943	18	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8070	4.059	2	120.8070	16.474	2	120.8070	16.474	2	121.1136	4.568	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2887	2.108	4	121.2887	4.445	4	121.2887	4.445	4	121.1136	4.568	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,5|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9265	3.263	4	120.9265	10.647	4	120.9265	10.647	4	121.1136	4.568	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1071	2.102	8	121.1071	4.418	8	121.1286	4.183	44	121.1136	4.568	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0490	2.043	8	121.1334	4.256	36	121.1286	4.183	44	121.1136	4.568	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1575	2.105	28	121.1334	4.256	36	121.1286	4.183	44	121.1136	4.568	54	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]2)(CH3){5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.6970	1.003	2	121.6970	1.005	2	121.6970	1.005	2	121.1045	1.530	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-4:C[5]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)2{1|Ga<5>,1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN){2|C<4>,3|C<3>,3|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	120.8083	1.365	4	120.8083	1.864	4	120.8083	1.864	4	121.1045	1.530	6	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	5:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	Si[4,5]-5:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]Si[4,5]C[5]H)(C[6a]C[6a]H)2	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]Si[4,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>,3|N<3>}	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<5>,2|C<3>,3|H<1>}	121.5745	0.620	4	121.5745	0.385	4	121.5745	0.385	4	121.5745	0.385	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	6:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5x3,6x5,20x6]-6:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5x3,6x5,20x6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5x3,6x5,20x6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H){3|C<3>,5|B<6>,7|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|O<2>,3|H<1>}	120.4838	1.930	4	120.4838	3.725	4	120.4838	3.725	4	120.4838	3.725	4	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	0:SP2_SP2_SP3	C[6a]	C[5]	C[6a]	4:3:3:	6:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5x3,6x5,20x6]-6:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5x3,6x5,20x6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5x3,6x5,20x6]C[5]H)(C[6a]C[6a]H)2{1|C<6>,2|C<3>,3|H<1>,4|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<6>,2|C<3>,3|H<1>}	120.7520	2.117	2	120.7520	4.482	2	120.7520	4.482	2	120.7520	4.482	2	120.8070	3.042	12347	120.8415	3.242	15486
643	474	643	6:SP2_SP2_SP2	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	114.9610	0.380	2	114.9610	0.145	2	114.9610	0.145	2	114.9610	0.145	2	114.9610	0.145	2	114.9610	0.145	2
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[3x6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[5,3x6]-4:C[3x6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:O[6,6]-2:	C[4x6]-4:C[6,6,6a]-3:C[6,6a]-3:	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]O[6,6])(C[3x6,6a]C[6,6a]C[4x6])(C[6a,6a]C[6a,6a]C[6a])	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6])	C[3x6,6a](C[4x6]C[6,6a]C[6,6]O[6,6])(C[6,6,6a]C[5,3x6]C[6a,6a])(C[6,6a]C[6a]Si[6])	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]O[6,6])(C[3x6,6a]C[6,6a]C[4x6])(C[6a,6a]C[6a,6a]C[6a]){2|Si<4>,1|H<1>,1|O<2>,7|C<3>}	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6]){1|H<1>,3|C<4>,6|C<3>}	C[3x6,6a](C[4x6]C[6,6a]C[6,6]O[6,6])(C[6,6,6a]C[5,3x6]C[6a,6a])(C[6,6a]C[6a]Si[6]){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	111.0700	0.000	1	111.0700	0.000	1	111.0700	0.000	1	111.0700	0.000	1	111.0700	0.000	1	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[5,3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[5,3x6]C[5,6,6]2H)(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[5,3x6]C[5,6,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	113.0740	0.000	1	113.0740	0.000	1	113.0740	0.000	1	113.0740	0.000	1	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	3:4:3:	3:4:4:3:	3:4:3:	C[6,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,2|H<1>,5|C<4>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>,8|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<3>,2|H<1>,4|C<4>,6|C<3>}	113.2270	0.000	1	114.1235	1.607	2	114.1235	1.607	2	114.2643	0.314	8	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	3:4:3:	3:4:4:3:	3:4:3:	C[6,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,3|H<1>,4|C<4>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>,8|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<3>,2|H<1>,4|C<4>,6|C<3>}	115.0200	0.000	1	114.1235	1.607	2	114.1235	1.607	2	114.2643	0.314	8	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	3:4:3:	3:4:4:3:	3:4:3:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6])	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<3>,2|H<1>,4|C<4>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,8|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,2|H<1>,5|C<4>,6|C<3>}	114.1890	0.000	1	114.1100	0.012	2	114.1100	0.012	2	114.2643	0.314	8	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	3:4:3:	3:4:4:3:	3:4:3:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6])	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<3>,2|H<1>,4|C<4>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,8|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,3|H<1>,4|C<4>,6|C<3>}	114.0310	0.000	1	114.1100	0.012	2	114.1100	0.012	2	114.2643	0.314	8	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	3:4:3:	3:4:4:3:	3:4:3:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<2>,2|H<1>,4|C<4>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,8|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<2>,2|H<1>,4|C<4>,6|C<3>}	114.4117	0.367	4	114.4117	0.135	4	114.4117	0.135	4	114.2643	0.314	8	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	111.6386	0.290	16	111.6376	0.074	18	111.4589	0.130	34	111.4751	0.128	36	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	111.6290	0.041	2	111.6376	0.074	18	111.4589	0.130	34	111.4751	0.128	36	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	111.0995	0.275	4	111.2579	0.122	16	111.4589	0.130	34	111.4751	0.128	36	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|B<4>,1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|S<2>,2|H<1>,4|C<3>}	111.2395	0.046	2	111.2579	0.122	16	111.4589	0.130	34	111.4751	0.128	36	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	111.2125	0.428	4	111.2579	0.122	16	111.4589	0.130	34	111.4751	0.128	36	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	111.3170	0.450	4	111.2579	0.122	16	111.4589	0.130	34	111.4751	0.128	36	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	111.5655	0.353	2	111.2579	0.122	16	111.4589	0.130	34	111.4751	0.128	36	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5])	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,3|H<1>,4|C<3>}	111.7500	0.011	2	111.7500	0.000	2	111.7500	0.000	2	111.4751	0.128	36	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:3:	3:4:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:Se[5]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]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[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,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[6,6]C[6,6]H)(Se[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Se<3>,3|H<1>,4|C<3>}	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:3:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	111.1880	0.328	2	111.1880	0.108	2	110.9952	0.100	4	110.9230	0.108	6	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:3:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	110.8025	0.209	2	110.8025	0.044	2	110.9952	0.100	4	110.9230	0.108	6	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:3:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<3>,2|H<1>,5|C<3>}	110.7785	0.419	2	110.7785	0.176	2	110.7785	0.176	2	110.9230	0.108	6	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:4:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[3x6]-3:C[5]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]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[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,5|C<3>,5|H<1>}	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[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	112.3920	0.000	1	112.3920	0.000	1	112.3920	0.000	1	112.6110	0.038	3	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:4:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:C[5]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]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[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,4|C<3>,5|H<1>}	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[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	112.7205	0.067	2	112.7205	0.005	2	112.7205	0.005	2	112.6110	0.038	3	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,4|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	113.3530	0.000	1	113.3530	0.000	1	113.3530	0.000	1	112.4077	0.674	3	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[5,6,6]-3:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]N[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[5,6,6]O[6,6]C[5])(C[5]C[5]HH)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]N[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[5,6,6]O[6,6]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.9350	0.089	2	111.9350	0.008	2	111.9350	0.008	2	112.4077	0.674	3	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:4:3:	3:4:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:P[5,6,6]-3:C[5,6]-4:C[6]-3:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O)	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[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O){2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	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[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<3>}	119.1930	0.000	1	119.1930	0.000	1	119.1930	0.000	1	119.1930	0.000	1	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>,5|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	112.4820	0.735	2	112.7150	0.255	4	112.7150	0.255	4	112.7150	0.255	4	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	112.9480	0.076	2	112.7150	0.255	4	112.7150	0.255	4	112.7150	0.255	4	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:4:3:3:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]C[5x6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])	C[6,6,6a](C[4x6]C[6,6a]C[5x6]C[6,6])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]C[5x6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,8|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[4x6]C[6,6a]C[5x6]C[6,6])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:4:4:3:	3:4:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O)	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[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O){1|Au<2>,2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	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[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>}	118.7210	0.000	1	118.7210	0.000	1	118.9567	0.089	3	118.9567	0.089	3	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,3x6]	C[6,6,6a]	4:3:3:	3:4:4:3:	3:4:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O)	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[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O){1|Cu<3>,2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	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[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>}	119.0745	0.306	2	119.0745	0.094	2	118.9567	0.089	3	118.9567	0.089	3	112.4146	4.037	67	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|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[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	121.4425	1.421	4	121.4425	2.018	4	121.4425	2.018	4	121.1799	3.094	7	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|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[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){1|Cl<1>,1|C<4>,1|O<2>,8|C<3>}	122.5810	0.000	1	122.5810	0.000	1	122.5810	0.000	1	121.1799	3.094	7	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){1|Cl<1>,1|C<4>,1|O<2>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	118.0480	0.000	1	118.0480	0.000	1	118.0480	0.000	1	121.1799	3.094	7	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){1|Cl<1>,1|C<4>,1|O<2>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){1|Cl<1>,1|C<4>,8|C<3>}	121.8600	0.000	1	121.8600	0.000	1	121.8600	0.000	1	121.1799	3.094	7	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,4|C<3>,4|C<4>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,7|C<3>}	119.7435	0.521	2	119.7435	0.272	2	119.7435	0.272	2	119.7435	0.272	2	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:1:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|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[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	122.1935	0.279	2	122.1935	0.078	2	122.1935	0.078	2	120.0894	4.854	7	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:1:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[6,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|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[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	122.8650	0.000	1	122.8650	0.000	1	122.8650	0.000	1	120.0894	4.854	7	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,4|C<3>,4|C<4>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,8|C<3>}	118.1410	0.202	2	118.1410	0.041	2	118.1410	0.041	2	120.0894	4.854	7	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:1:	4:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	118.5460	0.298	2	118.5460	0.089	2	118.5460	0.089	2	120.0894	4.854	7	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:2:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){1|Cl<1>,1|C<4>,1|O<2>,8|C<3>}	121.0260	0.000	1	121.0260	0.000	1	121.0260	0.000	1	121.0260	0.000	1	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	121.8050	0.554	2	121.8050	0.307	2	122.0112	0.134	10	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	122.0627	0.336	8	122.0627	0.113	8	122.0112	0.134	10	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	123.9840	0.000	1	123.4265	0.622	2	123.1048	0.231	6	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	122.8690	0.000	1	123.4265	0.622	2	123.1048	0.231	6	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	122.9440	0.273	4	122.9440	0.074	4	123.1048	0.231	6	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	121.8170	0.461	4	121.8170	0.212	4	121.8170	0.212	4	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	123.6130	0.000	1	123.6130	0.000	1	123.6130	0.000	1	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,9|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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	122.8150	0.000	1	122.8150	0.000	1	122.8150	0.000	1	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	118.9340	0.000	1	118.8955	0.003	2	118.3574	0.333	7	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	118.8570	0.000	1	118.8955	0.003	2	118.3574	0.333	7	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	118.1422	0.545	5	118.1422	0.297	5	118.3574	0.333	7	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	120.7450	0.000	1	120.0850	0.871	2	120.0850	0.871	2	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	119.4250	0.000	1	120.0850	0.871	2	120.0850	0.871	2	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	121.1388	0.667	4	121.1388	0.445	4	121.1612	0.337	5	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	121.2510	0.000	1	121.2510	0.000	1	121.1612	0.337	5	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,9|C<3>}	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	122.7302	0.653	4	122.7302	0.426	4	122.4764	0.642	5	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	121.4610	0.000	1	121.4610	0.000	1	122.4764	0.642	5	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,9|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){1|C<4>,9|C<3>}	122.2280	0.000	1	122.2280	0.000	1	122.2280	0.000	1	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	122.8870	0.106	2	122.8870	0.011	2	122.8870	0.011	2	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){1|C<4>,9|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,9|C<3>}	122.5100	0.000	1	122.5100	0.000	1	122.5100	0.000	1	121.5196	2.673	46	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Cl<1>,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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,8|C<3>}	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	120.3690	2.293	3	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(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[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,8|C<3>}	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,8|C<3>}	121.3250	0.000	1	121.3250	0.000	1	121.3250	0.000	1	120.3690	2.293	3	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	118.6230	0.000	1	118.6230	0.000	1	118.6230	0.000	1	120.3690	2.293	3	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|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[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	121.2600	0.000	1	121.2600	0.000	1	121.2600	0.000	1	121.4513	0.468	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6a,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){3|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|C<4>,7|C<3>}	122.4320	0.000	1	122.4320	0.000	1	122.4320	0.000	1	121.4513	0.468	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,8|C<3>}	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,8|C<3>}	121.2730	0.000	1	121.2730	0.000	1	121.2730	0.000	1	121.4513	0.468	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:3:3:4:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){5|C<4>,6|C<3>}	120.8400	0.000	1	120.8400	0.000	1	120.8400	0.000	1	121.4513	0.468	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,4|C<4>,5|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,4|C<3>,5|C<4>}	121.9200	0.000	1	121.9200	0.000	1	121.9200	0.000	1	121.9200	0.000	1	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6,6a]-3:C[6,6a,6a]-3:C[6,6]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]C[5]C[6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO)	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[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]C[5]C[6]){2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|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>}	119.8483	0.578	3	119.8483	0.335	3	119.8483	0.335	3	119.8483	0.335	3	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(C[6,6,6a]C[6,6,6a]2)(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,5,6]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(C[6,6,6a]C[6,6,6a]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,5,6]C[5,6,6]){3|Cl<1>,2|C<3>,7|C<4>}	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	4:4:3:1:	3:3:4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,4|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,4|C<4>,5|C<3>}	123.9450	0.000	1	123.9450	0.000	1	123.9450	0.000	1	123.9450	0.000	1	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:3:4:	4:4:3:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(C[6,6,6a]C[6,6,6a]2)(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(C[6,6,6a]C[6,6,6a]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|Cl<1>,3|C<4>,6|C<3>}	122.6610	0.000	1	122.6610	0.000	1	122.6610	0.000	1	122.6610	0.000	1	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,3|C<4>,6|C<3>}	120.8655	0.482	2	120.8655	0.232	2	120.8655	0.232	2	120.8655	0.232	2	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	121.4385	0.299	2	121.4385	0.089	2	121.4385	0.089	2	121.4385	0.089	2	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(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[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(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[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	117.9380	0.000	1	117.9380	0.000	1	117.9380	0.000	1	117.9380	0.000	1	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,8|C<3>}	122.2680	0.000	1	122.2680	0.000	1	122.2680	0.000	1	122.9200	0.850	2	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:3:4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	123.5720	0.000	1	123.5720	0.000	1	123.5720	0.000	1	122.9200	0.850	2	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	122.4310	0.000	1	122.4310	0.000	1	122.4310	0.000	1	120.8440	2.399	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,8|C<3>}	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	120.8440	2.399	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){3|C<4>,7|C<3>}	121.4190	0.000	1	121.4190	0.000	1	121.4190	0.000	1	120.8440	2.399	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	118.7600	0.000	1	118.7600	0.000	1	118.7600	0.000	1	120.8440	2.399	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Cl-1:	C[6,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[3x6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl){2|Cl<1>,3|C<4>,6|C<3>}	118.6340	0.000	1	118.6340	0.000	1	118.6340	0.000	1	118.6340	0.000	1	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6]C[5,6,6]2){3|Cl<1>,4|C<3>,5|C<4>}	121.4050	0.000	1	121.4050	0.000	1	121.4050	0.000	1	121.4050	0.000	1	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:3:4:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,4|C<4>,5|C<3>}	121.0310	0.000	1	121.0310	0.000	1	121.0310	0.000	1	121.0310	0.000	1	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3,6,6]C[6a])(C[5,6,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3,6,6]C[6a])(C[5,6,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6,6a](C[6,6,6a]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	3:4:3:	4:3:3:1:	3:3:4:	C[5a,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6,6a])(Cl){1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Cl<1>,2|C<4>,8|C<3>}	122.5190	0.000	1	122.5190	0.000	1	122.5190	0.000	1	122.5190	0.000	1	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){1|Cl<1>,3|C<4>,6|C<3>}	122.1305	0.514	2	122.1305	0.264	2	122.1305	0.264	2	120.1620	5.263	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|C<3>}	118.1935	0.155	2	118.1935	0.024	2	118.1935	0.024	2	120.1620	5.263	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:3:3:1:	3:4:3:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,7|C<3>}	119.3265	0.424	2	119.3265	0.179	2	119.3265	0.179	2	119.3265	0.179	2	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,8|C<3>}	122.0780	0.000	1	122.0780	0.000	1	122.0780	0.000	1	121.2193	2.953	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3){3|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	122.8040	0.000	1	122.8040	0.000	1	122.8040	0.000	1	121.2193	2.953	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:3:4:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	121.1430	0.000	1	121.1430	0.000	1	121.1430	0.000	1	121.2193	2.953	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:3:4:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6a,6a]-3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(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[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(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[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){3|C<4>,8|C<3>}	118.8520	0.000	1	118.8520	0.000	1	118.8520	0.000	1	121.2193	2.953	4	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){5|C<4>,6|C<3>}	122.0990	0.000	1	122.0990	0.000	1	122.0990	0.000	1	120.1245	7.797	2	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){5|C<4>,6|C<3>}	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	120.1245	7.797	2	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,3|C<4>,6|C<3>}	125.3785	0.272	2	125.3785	0.074	2	125.3785	0.074	2	122.5183	24.579	3	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6,6]-4:C[6,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	116.7980	0.000	1	116.7980	0.000	1	116.7980	0.000	1	122.5183	24.579	3	121.0446	3.823	108	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,3|C<4>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	119.8375	0.094	2	119.8375	0.009	2	119.8375	0.009	2	119.8375	0.009	2	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|O<2>,2|C<4>,7|C<3>}	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,8|C<3>}	120.2005	0.585	2	120.2005	0.342	2	120.2005	0.342	2	117.6869	4.549	16	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|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[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	119.8490	0.000	1	119.8490	0.000	1	119.8490	0.000	1	117.6869	4.549	16	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5a,6,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C[6,6a,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C[6,6a,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	120.2880	0.255	2	120.2880	0.065	2	120.2880	0.065	2	117.6869	4.549	16	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,8|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	119.3270	0.000	1	119.3270	0.000	1	119.3270	0.000	1	117.6869	4.549	16	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){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[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	115.7618	0.436	4	115.7618	0.190	4	115.7618	0.190	4	117.6869	4.549	16	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	116.8650	0.000	1	116.8650	0.000	1	116.8650	0.000	1	117.6869	4.549	16	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	119.6650	0.000	1	119.6650	0.000	1	119.6650	0.000	1	117.6869	4.549	16	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,9|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	116.1230	0.000	1	116.1230	0.000	1	116.1230	0.000	1	117.6869	4.549	16	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	115.5470	0.068	2	115.5470	0.005	2	115.5470	0.005	2	117.6869	4.549	16	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){1|C<4>,9|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6]){4|C<4>,6|C<3>}	116.0430	0.000	1	116.0430	0.000	1	116.0430	0.000	1	117.6869	4.549	16	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-4:Cl-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,8|C<3>}	119.1720	0.000	1	119.1720	0.000	1	119.1720	0.000	1	119.1720	0.000	1	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(Cl)	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,4|C<4>,5|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,2|C<3>,7|C<4>}	118.9740	0.000	1	118.9740	0.000	1	118.9740	0.000	1	118.9740	0.000	1	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]C[5]C[6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO)	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]C[5]C[6]){2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<1>,2|O<2>,3|C<4>,4|C<3>}	120.2670	0.901	3	120.2670	0.812	3	120.2670	0.812	3	120.2670	0.812	3	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-3:Cl-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6])(Cl)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6])(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,8|C<3>}	119.7930	0.000	1	119.7930	0.000	1	119.7930	0.000	1	118.3108	0.894	5	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,7|C<3>}	117.5540	0.462	2	117.5540	0.214	2	117.5540	0.214	2	118.3108	0.894	5	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]2){1|Cl<1>,3|C<4>,6|C<3>}	118.3265	0.138	2	118.3265	0.019	2	118.3265	0.019	2	118.3108	0.894	5	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[6,6,6a]-3:C[6,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){3|C<4>,7|C<3>}	117.5340	0.000	1	117.5340	0.000	1	117.5340	0.000	1	118.7950	3.180	2	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	120.0560	0.000	1	120.0560	0.000	1	120.0560	0.000	1	118.7950	3.180	2	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-4:Cl-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	118.3370	0.000	1	118.3370	0.000	1	118.3370	0.000	1	119.3110	1.897	2	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[3x6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,3|C<3>,6|C<4>}	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	119.3110	1.897	2	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6,6a]2){2|Cl<1>,3|C<3>,6|C<4>}	120.3670	0.000	1	119.3565	2.042	2	119.3565	2.042	2	119.3565	2.042	2	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6,6a]2){2|Cl<1>,3|C<3>,6|C<4>}	118.3460	0.000	1	119.3565	2.042	2	119.3565	2.042	2	119.3565	2.042	2	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6a,6a]-3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	119.9160	0.000	1	119.9160	0.000	1	119.9160	0.000	1	119.9160	0.000	1	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6,6]-4:C[6,6a,6a]-3:C[6,6a,6a]-3:	C[6,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6,6,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a,6a]C[3x6a]C[6,6a])2	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[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[5,6]C[6a])	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a,6a]C[3x6a]C[6,6a])2{1|C<4>,3|H<1>,8|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[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[5,6]C[6a]){1|C<4>,2|H<1>,8|C<3>}	113.6000	0.000	1	113.6000	0.000	1	118.8025	54.132	2	118.8025	54.132	2	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6,6]-4:C[6,6a,6a]-3:C[6,6a,6a]-3:	C[6,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6,6,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a,6a]C[3x6a]C[6,6a])2	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[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]C[6])	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a,6a]C[3x6a]C[6,6a])2{1|C<4>,3|H<1>,8|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[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]C[6]){1|C<4>,2|H<1>,7|C<3>}	124.0050	0.000	1	124.0050	0.000	1	118.8025	54.132	2	118.8025	54.132	2	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[3x6a]-3:	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|Cl<1>,2|C<4>,7|C<3>}	122.8930	0.000	1	122.8930	0.000	1	122.8930	0.000	1	122.8930	0.000	1	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6a]-3:	C[6,6,6a](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[6,6,6a](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|Cl<1>,4|C<3>,5|C<4>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl){3|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){2|Cl<1>,4|C<3>,5|C<4>}	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	118.6839	4.908	40	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	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[6,6a]-3:	C[5,6a]-3:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6a]C[6])2	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	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[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6a]C[6])2{2|C<4>,2|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<2>,6|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>}	120.0460	0.520	2	120.0460	0.271	2	120.0460	0.271	2	119.4412	0.894	4	119.2189	5.701	12	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	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[6,6a]-3:	C[5,6a]-3:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6a]C[6])2	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6a]C[6])2{2|C<4>,2|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<4>,3|C<3>}	118.8365	0.974	2	118.8365	0.948	2	118.8365	0.948	2	119.4412	0.894	4	119.2189	5.701	12	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6,6a]-3:N[5,6]-3:C-4:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6,6a]C[6,6a]2)(N[5,6]C[5]C[6])(CH3)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6,6a]C[6,6a]2)(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	114.7000	0.000	1	114.7000	0.000	1	114.7000	0.000	1	114.7000	0.000	1	119.2189	5.701	12	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6,6a]-3:N[5,6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6,6a]C[6,6a]2)(N[5,6]C[5]C[6])(CH3)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6,6a]C[6,6a]2)(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.0090	0.000	1	120.0090	0.000	1	120.0090	0.000	1	120.0090	0.000	1	119.2189	5.701	12	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:2:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6,6a]-3:C[5]-4:C[6]-3:	C[6,6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6,6a](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])	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[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6])	C[6,6,6a](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|O<2>,3|C<3>,3|C<4>,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[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	117.6720	0.000	1	117.6720	0.000	1	117.6720	0.000	1	117.6720	0.000	1	119.2189	5.701	12	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6,6a]-3:C[5]-4:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])	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[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6,6a]O)(C[6]C[6]O)	C[6,6,6a](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|O<2>,3|C<3>,3|C<4>,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[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6,6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	123.4790	0.000	1	123.4790	0.000	1	123.4790	0.000	1	123.4790	0.000	1	119.2189	5.701	12	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])2	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	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[6,6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])2{2|C<3>,2|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<1>,1|O<2>,6|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>}	121.3075	0.984	2	121.3075	0.967	2	121.3075	0.967	2	119.2505	6.079	4	119.2189	5.701	12	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])2	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])2{2|C<3>,2|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<3>,3|C<4>}	117.1935	0.588	2	117.1935	0.345	2	117.1935	0.345	2	119.2505	6.079	4	119.2189	5.701	12	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,3x6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6]2C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6]2C[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	122.2910	0.000	1	122.2910	0.000	1	122.2910	0.000	1	122.3525	0.008	2	121.6896	6.221	5	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,3x6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|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[6,6a]C[6,6a]C[6a]){11|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	122.4140	0.000	1	122.4140	0.000	1	122.4140	0.000	1	122.3525	0.008	2	121.6896	6.221	5	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,3x6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[5,6]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,3x6]C[3x6]C[5,6]O[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[5,3x6]C[3x6]C[5,6]O[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>,4|O<2>}	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.2970	0.000	1	117.2970	0.000	1	117.2970	0.000	1	117.2970	0.000	1	121.6896	6.221	5	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,3x6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:C[5,6]-4:C[5,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,3x6]C[5,3x6]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[5,3x6]C[6,6a]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]HH)2	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,3x6]C[5,3x6]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,6|H<1>}	C[5,3x6](C[5,3x6]C[6,6a]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]HH)2{4|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	123.2230	0.030	2	123.2230	0.001	2	123.2230	0.001	2	123.2230	0.001	2	121.6896	6.221	5	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,4x6]	C[6,6a]	4:3:3:	4:4:3:3:	3:3:4:	C[5,4x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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[6,6a](C[6,6a]C[5,4x6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6,6a](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,6|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[6,6a](C[6,6a]C[5,4x6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.5160	0.000	1	119.5160	0.000	1	119.5160	0.000	1	119.5160	0.000	1	119.5160	0.000	1	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6,6]	C[6,6a,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])	C[6,6a,6a](C[6,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2)	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6]){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	120.1850	0.000	1	120.1850	0.000	1	120.1850	0.000	1	120.1850	0.000	1	119.7145	0.523	4	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6,6]	C[6,6a,6a]	4:3:3:	4:3:2:3:	3:3:3:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[6,6a,6a](C[6,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2)	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	119.9670	0.519	2	119.9670	0.269	2	119.5577	0.637	3	119.5577	0.637	3	119.7145	0.523	4	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6,6]	C[6,6a,6a]	4:3:3:	4:3:2:3:	3:3:3:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[6,6a,6a](C[6,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2)	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a,6a](C[6,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	118.7390	0.000	1	118.7390	0.000	1	119.5577	0.637	3	119.5577	0.637	3	119.7145	0.523	4	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:4:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5,5]-4:C[5,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)	C[6,6a](C[6,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	121.1070	0.000	1	121.1070	0.000	1	121.1070	0.000	1	121.1070	0.000	1	121.1070	0.000	1	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:2:4:4:	3:4:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]H)	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,5|C<4>,6|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	117.4040	0.000	1	117.4040	0.000	1	117.4040	0.000	1	118.4205	2.067	2	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:2:4:4:	3:4:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,5|C<4>,6|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	119.4370	0.000	1	119.4370	0.000	1	119.4370	0.000	1	118.4205	2.067	2	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5,5]-4:C[5]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,3|H<1>,4|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){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	116.5720	0.000	1	116.5720	0.000	1	116.5720	0.000	1	116.5720	0.000	1	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.8160	0.000	1	121.4385	0.775	2	121.4385	0.775	2	121.4385	0.775	2	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.0610	0.000	1	121.4385	0.775	2	121.4385	0.775	2	121.4385	0.775	2	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:C[5]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.0380	0.000	1	119.0735	0.015	4	119.0735	0.015	4	118.9240	0.123	5	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:C[5]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.0853	0.146	3	119.0735	0.015	4	119.0735	0.015	4	118.9240	0.123	5	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(N[5,6]C[5,6]C[6])(C[5]O[5]O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(N[5,6]C[5,6]C[6])(C[5]O[5]O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.3260	0.000	1	118.3260	0.000	1	118.3260	0.000	1	118.9240	0.123	5	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,5,6]C[5,5]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5,6]C[6]N[5])(C[5]C[5]O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[5,5,6]C[5,5]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,1|O<2>,2|N<2>,3|C<4>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5,6]C[6]N[5])(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.1790	0.000	1	121.1790	0.000	1	121.1790	0.000	1	121.1790	0.000	1	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.9530	0.000	1	118.9530	0.000	1	118.9530	0.000	1	118.9530	0.000	1	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5])	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,9|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	116.6000	0.000	1	116.6000	0.000	1	116.6000	0.000	1	116.6000	0.000	1	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|Br<1>,1|O<1>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	121.3360	0.000	1	121.0835	0.128	2	121.0835	0.128	2	121.5827	0.811	3	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	120.8310	0.000	1	121.0835	0.128	2	121.0835	0.128	2	121.5827	0.811	3	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|N<3>,4|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	122.5810	0.000	1	122.5810	0.000	1	122.5810	0.000	1	121.5827	0.811	3	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	123.1520	0.000	1	123.1520	0.000	1	123.1520	0.000	1	123.1520	0.000	1	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	121.9690	0.000	1	121.9690	0.000	1	122.1217	0.063	3	122.1217	0.063	3	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.1980	0.303	2	122.1980	0.092	2	122.1217	0.063	3	122.1217	0.063	3	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:2:2:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,5,6]C[5,5,6,6]O[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(O[5]C[5])	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[5,5,6]C[5,5,6,6]O[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	120.2465	0.339	2	120.2465	0.115	2	120.2465	0.115	2	120.2465	0.115	2	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:N[5]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[5,5,6]C[5,5,6]N[5]2)(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6,6a]N[5]2)(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6,6a](C[5,5,6]C[5,5,6]N[5]2)(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[6,6a]N[5]2)(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)2{1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	121.1972	0.872	4	121.1972	0.761	4	121.1972	0.761	4	121.1972	0.761	4	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O){1|C<4>,4|H<1>,8|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>}	115.9020	0.000	1	115.9020	0.000	1	115.9020	0.000	1	115.9020	0.000	1	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<1>,5|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	122.6160	0.000	1	122.6160	0.000	1	122.6160	0.000	1	122.6160	0.000	1	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<2>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	121.4230	0.000	1	121.4230	0.000	1	121.4230	0.000	1	121.4230	0.000	1	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.3490	0.440	2	121.3490	0.193	2	121.3490	0.193	2	121.3490	0.193	2	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	119.5715	0.298	2	119.5715	0.089	2	119.5715	0.089	2	119.2487	12.740	9	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	121.9700	0.223	2	121.9700	0.050	2	117.6085	25.383	4	119.2487	12.740	9	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	113.2470	0.089	2	113.2470	0.008	2	117.6085	25.383	4	119.2487	12.740	9	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{6|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	120.5490	0.590	2	120.5490	0.348	2	120.5490	0.348	2	119.2487	12.740	9	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	122.5630	0.000	1	122.5630	0.000	1	122.5630	0.000	1	119.2487	12.740	9	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.8275	0.317	2	122.8430	0.051	3	122.7527	0.067	4	122.7527	0.067	4	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.8740	0.000	1	122.8430	0.051	3	122.7527	0.067	4	122.7527	0.067	4	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.4820	0.000	1	122.4820	0.000	1	122.7527	0.067	4	122.7527	0.067	4	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:4:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	121.9760	0.000	1	121.8277	0.305	4	121.8277	0.305	4	121.8277	0.305	4	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:4:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	121.0200	0.000	1	121.8277	0.305	4	121.8277	0.305	4	121.8277	0.305	4	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:4:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	122.2620	0.000	1	121.8277	0.305	4	121.8277	0.305	4	121.8277	0.305	4	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:4:3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	122.0530	0.000	1	121.8277	0.305	4	121.8277	0.305	4	121.8277	0.305	4	120.4456	5.463	48	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:2:	4:3:4:1:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:N[6a]-2:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H)	C[6,6a](C[6,6a]C[5,6,6]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[5,6,6]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|H<1>,3|C<3>,4|C<4>}	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[5,6]-3:N[5]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[5,6,6]C[6,6]N[5,6]N[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	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[5,6,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6,6a](C[5,6,6]C[6,6]N[5,6]N[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,3|C<4>}	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[5,6,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){2|H<1>,2|N<3>,4|C<3>}	119.9820	0.000	1	119.9820	0.000	1	119.9820	0.000	1	119.9820	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[3x6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6,6]C[5,6,6a]C[5,6a]C[3x6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5,6,6]C[5,6,6a]C[5,6a]C[3x6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,5|C<3>}	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	120.4380	0.000	1	120.4380	0.000	1	120.4380	0.000	1	120.4380	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2H){2|N<3>,5|C<3>,8|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	119.8160	0.000	1	119.8160	0.000	1	119.8160	0.000	1	119.8160	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	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]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	117.1297	0.099	3	117.1297	0.010	3	117.1297	0.010	3	117.1297	0.010	3	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:2:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.5480	0.000	1	121.5480	0.000	1	121.2790	0.145	2	121.2790	0.145	2	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:2:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.0100	0.000	1	121.0100	0.000	1	121.2790	0.145	2	121.2790	0.145	2	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[5,6]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6])(N[5]C[5]C)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6])(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.6490	0.000	1	120.6490	0.000	1	120.6490	0.000	1	119.2313	1.511	3	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|I<1>,1|O<1>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.5225	0.091	2	118.5225	0.008	2	118.5225	0.008	2	119.2313	1.511	3	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,5|C<3>,5|H<1>}	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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	121.8550	0.000	1	121.8550	0.000	1	121.8550	0.000	1	121.8550	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6,6]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6,6]N[5,6,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6,6]N[5,6,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.3050	0.000	1	123.3050	0.000	1	123.3050	0.000	1	123.3050	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	117.7660	0.000	1	120.4156	2.715	5	120.4156	2.715	5	120.2392	2.359	6	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	120.4030	0.276	2	120.4156	2.715	5	120.4156	2.715	5	120.2392	2.359	6	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	122.0590	0.000	1	120.4156	2.715	5	120.4156	2.715	5	120.2392	2.359	6	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	121.4470	0.000	1	120.4156	2.715	5	120.4156	2.715	5	120.2392	2.359	6	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]N[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,6]N[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,8|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	119.3570	0.000	1	119.3570	0.000	1	119.3570	0.000	1	120.2392	2.359	6	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:2:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O[5]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]N[6a]O)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6]C[6a])(O[6]C[6])	C[6,6a](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]N[6a]O){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6]C[6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	120.4970	0.076	2	120.4970	0.006	2	120.4970	0.006	2	120.4970	0.006	2	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,6|H<1>}	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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	122.5680	0.000	1	122.5680	0.000	1	120.8860	1.338	4	121.3328	2.002	5	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.4705	0.342	2	120.3253	0.122	3	120.8860	1.338	4	121.3328	2.002	5	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<4>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.0350	0.000	1	120.3253	0.122	3	120.8860	1.338	4	121.3328	2.002	5	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[5,6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	123.1200	0.000	1	123.1200	0.000	1	123.1200	0.000	1	121.3328	2.002	5	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[5]-4:N[5,6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<4>,5|C<3>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,6|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|S<3>,3|C<4>,3|H<1>}	120.9810	0.000	1	120.9810	0.000	1	120.9810	0.000	1	120.9810	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	122.2920	0.000	1	122.2920	0.000	1	122.2920	0.000	1	122.2920	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:2:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:O[5,6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.9420	0.000	1	121.9420	0.000	1	121.9420	0.000	1	121.9420	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]O)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,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]C)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	116.8690	0.000	1	116.8690	0.000	1	116.8690	0.000	1	116.8690	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6,6]C[5,3x6]C[5,6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(C[6]O[6]O)	C[6,6a](C[5,6,6]C[5,3x6]C[5,6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(C[6]O[6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	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[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|O<2>,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>}	117.0300	0.000	1	117.0300	0.000	1	117.0300	0.000	1	119.6883	5.305	3	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	119.6883	5.305	3	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5,5,6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O){2|H<1>,3|C<4>,4|C<3>}	121.0850	0.000	1	121.0850	0.000	1	121.0850	0.000	1	119.6883	5.305	3	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,6,6]C[5,5,3x6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]N[5,3x6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[5,5,3x6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,5|H<1>}	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]N[5,3x6]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	121.0845	0.321	2	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(P[6]C[5,5,6]C[6a]W)(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|W<6>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(P[6]C[5,5,6]C[6a]W)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	120.6840	0.000	1	120.6840	0.000	1	120.6840	0.000	1	121.0845	0.321	2	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:2:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:O[6]-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6])	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]C[6]2P[6])(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]C[6]2P[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	124.5430	0.000	1	124.5430	0.000	1	124.5430	0.000	1	124.5430	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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]HH)(C[6]C[6]O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|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]HH)(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	117.9780	0.000	1	117.9780	0.000	1	117.9997	0.040	3	118.9230	3.437	4	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<4>,2|C<3>,2|C<4>,2|O<2>,6|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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	118.0105	0.282	2	118.0105	0.080	2	117.9997	0.040	3	118.9230	3.437	4	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6,6]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]S)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,6,6]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]S){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	121.6930	0.000	1	121.6930	0.000	1	121.6930	0.000	1	118.9230	3.437	4	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,5|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[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	121.5130	0.000	1	121.5130	0.000	1	121.5130	0.000	1	121.5130	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	120.7060	0.000	1	120.7060	0.000	1	120.7060	0.000	1	118.4740	9.964	2	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6,6]-4:C[5]-4:	C[6,6a]-3:C[5,6a]-3:N[6]-3:	C[6,6a](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[5,6a]C[5,6a]O[5])(N[6]C[6]C)	C[6,6a](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[5,6a]C[5,6a]O[5])(N[6]C[6]C){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	116.2420	0.000	1	116.2420	0.000	1	116.2420	0.000	1	118.4740	9.964	2	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1	116.9085	13.692	2	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]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]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<4>,1|O<2>,3|C<4>,8|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]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	119.5250	0.000	1	119.5250	0.000	1	119.5250	0.000	1	116.9085	13.692	2	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,4|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	119.5890	0.000	1	119.5890	0.000	1	119.5890	0.000	1	119.5890	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:4:3:1:	3:3:2:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]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[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|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[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2230	0.000	1	120.2230	0.000	1	121.4037	1.046	3	120.4900	2.280	5	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,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]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	122.0190	0.000	1	122.0190	0.000	1	121.4037	1.046	3	120.4900	2.280	5	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	121.9690	0.000	1	121.9690	0.000	1	121.4037	1.046	3	120.4900	2.280	5	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]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[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|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[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	119.7380	0.000	1	119.7380	0.000	1	119.7380	0.000	1	120.4900	2.280	5	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C){3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	118.5010	0.000	1	118.5010	0.000	1	118.5010	0.000	1	120.4900	2.280	5	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:4:3:1:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	123.2190	0.000	1	123.2190	0.000	1	123.2190	0.000	1	123.2190	0.000	1	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6]	C[6,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H){4|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,4|C<4>,4|H<1>}	122.3445	0.288	4	122.3445	0.083	4	122.3445	0.083	4	122.3445	0.083	4	120.2298	4.282	61	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]O[6])(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]O[6])(N[6,6]C[6,6a]2){2|H<1>,7|C<3>}	118.6560	0.419	4	118.6560	0.176	4	118.8876	0.400	5	118.8876	0.400	5	119.3701	0.955	7	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,8|C<3>}	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6a]2){2|H<1>,7|C<3>}	119.8140	0.000	1	119.8140	0.000	1	118.8876	0.400	5	118.8876	0.400	5	119.3701	0.955	7	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6,6a](C[6,6a]C[5,6]C[6a])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[6,6,6a](C[6,6a]C[5,6]C[6a])2(N[6,6]C[6]2){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	120.5765	0.231	2	120.5765	0.053	2	120.5765	0.053	2	120.5765	0.053	2	119.3701	0.955	7	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5,5a]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,5a]O[5,6]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H)	C[6,6a,6a](C[6,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,5a]O[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){1|O<2>,2|C<3>,2|N<3>,6|H<1>}	116.1170	0.000	1	116.1170	0.000	1	116.1170	0.000	1	116.1170	0.000	1	118.4498	6.237	6	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:H-1:	C[6,6,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[5,6]C[6a])	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H){2|H<1>,6|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[5,6]C[6a]){1|C<4>,2|H<1>,8|C<3>}	114.5170	0.000	1	114.5170	0.000	1	114.5170	0.000	1	117.3030	15.524	2	118.4498	6.237	6	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	120.0890	0.000	1	120.0890	0.000	1	120.0890	0.000	1	117.3030	15.524	2	118.4498	6.237	6	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a,6a]	3:4:3:	3:4:4:2:	3:3:3:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2O)(C[6a]C[6a]C)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2O)(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>,3|O<2>}	120.2670	0.033	2	120.2670	0.001	2	120.2670	0.001	2	120.2670	0.001	2	118.4498	6.237	6	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]H)(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H)	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]H)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	119.4420	0.000	1	119.4420	0.000	1	119.4420	0.000	1	119.4420	0.000	1	118.4498	6.237	6	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:2:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[5,6]-4:O[6a]-2:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5]C[6]O[5])(O[6a]C[6a])	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]O[6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5]C[6]O[5])(O[6a]C[6a]){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]O[6a])(C[6]C[6]CO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	127.0980	0.000	1	127.0980	0.000	1	127.0980	0.000	1	127.0980	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:2:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[3,6]C[5,6]C[3]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[3,6]C[5,6]C[3]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	118.7640	0.000	1	118.7640	0.000	1	118.7640	0.000	1	121.2490	12.350	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:2:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[5,6]C[6]2)(C[6a]C[5,6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[5,6a]H){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[5,6]C[6]2)(C[6a]C[5,6a]O){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	123.7340	0.000	1	123.7340	0.000	1	123.7340	0.000	1	121.2490	12.350	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,4|H<1>}	119.2570	0.165	2	119.2570	0.027	2	119.2570	0.027	2	119.2570	0.027	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:2:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]N[6]O[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]N[6]O[5]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2{3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	120.0650	0.000	1	120.0650	0.000	1	120.0650	0.000	1	120.0650	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:O[5]-2:P[5]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]P[5])(C[6a]C[6a]H)	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[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]P[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|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[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,1|P<4>,3|H<1>,4|C<3>}	120.1550	0.000	1	120.1550	0.000	1	120.1550	0.000	1	120.1550	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,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[6,6a]O){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	121.3265	0.303	2	121.3265	0.092	2	121.3265	0.092	2	121.0321	0.097	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|N<2>,3|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	120.9680	0.000	1	120.9680	0.000	1	120.8323	0.079	3	121.0321	0.097	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,3|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	120.7645	0.360	2	120.7645	0.130	2	120.8323	0.079	3	121.0321	0.097	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[5]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){3|H<1>,4|C<3>}	121.0375	0.204	2	121.0375	0.042	2	121.0375	0.042	2	121.0321	0.097	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.0880	0.000	1	120.0793	0.753	3	120.0793	0.753	3	119.7823	0.421	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.5750	0.177	2	120.0793	0.753	3	120.0793	0.753	3	119.7823	0.421	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.4853	0.189	3	119.4853	0.036	3	119.4853	0.036	3	119.7823	0.421	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.5315	0.182	2	118.5315	0.033	2	118.5315	0.033	2	119.8270	1.958	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(S[6]N[5,6]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.2070	0.000	1	122.2070	0.000	1	122.2070	0.000	1	119.8270	1.958	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.5750	0.000	1	120.5750	0.000	1	119.8973	0.360	3	119.8270	1.958	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.5585	0.176	2	119.5585	0.031	2	119.8973	0.360	3	119.8270	1.958	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	116.6150	0.000	2	116.6150	0.000	2	116.6150	0.000	2	116.6150	0.000	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5]-3:C[6]-4:N[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]N[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]N[5]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5]){1|C<4>,1|S<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	120.3530	0.000	1	120.3530	0.000	1	120.3530	0.000	1	120.3530	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.9790	0.000	1	117.9790	0.000	1	117.9790	0.000	1	117.9790	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){2|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.1600	0.000	1	123.1600	0.000	1	123.1600	0.000	1	123.1600	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	120.6530	0.000	1	120.6530	0.000	1	120.6530	0.000	1	120.6530	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|F<1>,3|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O){1|C<4>,1|O<2>,2|F<1>,3|C<3>,3|H<1>}	123.8680	0.000	1	123.8680	0.000	1	123.8680	0.000	1	120.4006	2.672	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.4503	0.427	3	119.4503	0.183	3	119.8227	0.401	6	120.4006	2.672	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.1950	0.635	3	120.1950	0.403	3	119.8227	0.401	6	120.4006	2.672	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	122.3565	0.281	2	122.3565	0.079	2	122.3565	0.079	2	122.3565	0.079	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H)	C[6,6a](C[5,6]C[5,5,6,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H){2|C<3>,5|C<4>}	C[6,6a](C[5,6]C[5,5,6,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	115.6280	0.000	1	115.6280	0.000	1	115.6280	0.000	1	115.6280	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:N[5]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2{1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|N<2>,3|C<3>,3|H<1>}	117.8715	0.135	2	117.8715	0.018	2	117.8273	0.015	3	118.7476	2.560	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:N[5]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2{1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	117.7390	0.000	1	117.7390	0.000	1	117.8273	0.015	3	118.7476	2.560	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:N[5]-2:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2{1|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a]){1|C<4>,2|N<2>,3|H<1>,5|C<3>}	118.7390	0.000	1	118.7390	0.000	1	118.7390	0.000	1	118.7476	2.560	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>,4|O<2>}	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	118.7476	2.560	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:2:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O[5]C[5])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	120.4450	0.000	1	120.4450	0.000	1	120.1673	0.062	3	120.1673	0.062	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:2:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(O[5]C[5])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	119.9670	0.000	1	119.9670	0.000	1	120.1673	0.062	3	120.1673	0.062	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:2:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(O[5]C[5])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H){1|C<3>,1|I<1>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	120.0900	0.000	1	120.0900	0.000	1	120.1673	0.062	3	120.1673	0.062	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:2:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>,3|C<4>,4|O<2>}	121.7580	0.000	1	121.7580	0.000	1	121.7580	0.000	1	121.7580	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	123.4820	0.000	1	123.4820	0.000	1	123.4820	0.000	1	123.4820	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.4842	0.293	5	119.4842	0.086	5	119.5933	0.140	6	119.5933	0.140	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6]){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.1390	0.000	1	120.1390	0.000	1	119.5933	0.140	6	119.5933	0.140	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	120.4230	0.028	2	120.4230	0.001	2	120.4230	0.001	2	120.6362	4.171	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	120.1250	0.000	1	120.2705	0.042	2	120.2705	0.042	2	120.6362	4.171	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	120.4160	0.000	1	120.2705	0.042	2	120.2705	0.042	2	120.6362	4.171	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	121.9220	0.000	1	121.4915	0.371	2	120.6297	5.747	13	120.6362	4.171	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	121.0610	0.000	1	121.4915	0.371	2	120.6297	5.747	13	120.6362	4.171	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|S<4>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	120.6570	0.000	1	120.6570	0.000	1	120.6297	5.747	13	120.6362	4.171	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	121.5930	0.000	1	120.4546	7.422	10	120.6297	5.747	13	120.6362	4.171	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<5>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	122.1820	0.000	2	120.4546	7.422	10	120.6297	5.747	13	120.6362	4.171	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	122.0810	0.000	2	120.4546	7.422	10	120.6297	5.747	13	120.6362	4.171	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	118.8854	3.238	5	120.4546	7.422	10	120.6297	5.747	13	120.6362	4.171	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6]C[5,6]N[5]H)(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6]C[5,6]N[5]H)(C[6a]O[6a]O){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H){1|N<3>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	121.8790	0.000	1	121.8790	0.000	1	121.8790	0.000	1	120.6362	4.171	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	119.9684	0.767	7	119.9684	0.588	7	119.9684	0.588	7	119.9684	0.588	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:2:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:O-2:	C[6,6a]-3:C[6,6]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[5,6]C[5,6]N[5]O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]N[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[5,6]C[5,6]N[5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]N[6])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	122.0210	0.000	1	122.0210	0.000	1	122.0210	0.000	1	122.0210	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,4|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.3335	0.269	2	120.3335	0.073	2	120.3335	0.073	2	119.9053	0.878	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H)	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[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|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[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	119.6912	1.121	4	119.6912	1.256	4	119.6912	1.256	4	119.9053	0.878	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<4>,2|H<1>,3|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.5270	0.004	2	121.1486	0.483	5	121.1486	0.483	5	121.0377	2.018	10	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.8963	0.853	3	121.1486	0.483	5	121.1486	0.483	5	121.0377	2.018	10	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	118.7435	0.305	2	118.7435	0.093	2	120.9268	4.027	5	121.0377	2.018	10	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	122.5180	0.129	2	122.5180	0.017	2	120.9268	4.027	5	121.0377	2.018	10	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	122.1110	0.000	1	122.1110	0.000	1	120.9268	4.027	5	121.0377	2.018	10	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.4250	0.201	2	119.4250	0.040	2	119.4250	0.040	2	118.5133	2.514	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	116.6900	0.000	1	116.6900	0.000	1	116.6900	0.000	1	118.5133	2.514	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.6100	0.000	1	118.6100	0.000	1	118.6100	0.000	1	119.9550	5.169	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH){2|C<4>,3|C<3>,5|H<1>}	122.5800	0.000	1	120.6275	7.625	2	120.6275	7.625	2	119.9550	5.169	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH){2|C<4>,3|C<3>,5|H<1>}	118.6750	0.000	1	120.6275	7.625	2	120.6275	7.625	2	119.9550	5.169	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH){1|O<2>,2|C<4>,5|C<3>,8|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|N<2>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N){3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	119.5505	2.829	2	119.5505	8.004	2	119.5505	8.004	2	118.8968	2.574	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.0530	0.000	1	119.0530	0.000	1	119.0530	0.000	1	118.8968	2.574	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	118.1650	0.584	2	118.1650	0.341	2	118.1650	0.341	2	118.8968	2.574	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:3:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,5|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	123.4160	0.000	1	123.4160	0.000	1	122.6563	0.810	3	122.7597	0.583	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:3:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|F<1>,4|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	121.6620	0.000	1	121.6620	0.000	1	122.6563	0.810	3	122.7597	0.583	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:3:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	122.8910	0.000	1	122.8910	0.000	1	122.6563	0.810	3	122.7597	0.583	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:3:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	123.0700	0.000	1	123.0700	0.000	1	123.0700	0.000	1	122.7597	0.583	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5]-4:C[5]-4:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]AlH)(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H){1|Al<5>,1|O<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]AlH)(C[5]C[5,6a]CH)(C[6]C[6,6a]CO){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,2|C<4>,3|C<3>,3|H<1>}	115.8680	0.000	1	115.8680	0.000	1	115.8680	0.000	1	115.8680	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)2(C[6]C[6]HO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,9|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)2(C[6]C[6]HO){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	120.8790	0.000	1	120.8790	0.000	1	120.8790	0.000	1	120.8790	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:2:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6]){2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H){1|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	120.2630	0.000	1	120.2630	0.000	1	120.2630	0.000	1	120.2630	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H){1|C<4>,3|H<1>,5|C<3>}	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>}	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	118.9790	4.336	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H){10|C<3>,1|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a]){2|C<4>,3|H<1>,6|C<3>}	116.5455	0.940	2	116.5455	0.883	2	116.5455	0.883	2	118.9790	4.336	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	118.9790	4.336	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	120.6415	0.282	2	120.6415	0.080	2	120.6415	0.080	2	118.9790	4.336	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	3:4:3:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H)	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,5|C<4>,6|H<1>}	119.8490	0.000	1	119.8490	0.000	1	119.8490	0.000	1	119.8490	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:2:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.0160	1.344	2	121.6495	1.203	4	121.6495	1.203	4	121.6495	1.203	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:2:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.2830	0.447	2	121.6495	1.203	4	121.6495	1.203	4	121.6495	1.203	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:2:	3:4:2:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HO)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,4|C<4>}	120.9305	0.247	2	120.9305	0.061	2	120.9305	0.061	2	120.9305	0.061	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	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[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|N<3>,6|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>}	118.9310	0.000	1	118.9310	0.000	1	118.9310	0.000	1	118.9310	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:2:	4:4:3:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	N[5,6,6]-4:C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a])	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,6|H<1>}	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	115.2420	0.000	1	115.2420	0.000	1	115.2420	0.000	1	115.2420	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]C)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|C<3>,4|H<1>}	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>}	119.3470	0.000	1	119.3470	0.000	1	118.1365	0.270	11	118.1365	0.270	11	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[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[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|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>}	118.0154	0.348	10	118.0154	0.121	10	118.1365	0.270	11	118.1365	0.270	11	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:2:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	116.7650	0.240	4	116.7650	0.058	4	116.7650	0.058	4	116.7650	0.058	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:2:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:O[5]-2:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]O[5,6]O[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]O[5,6]O[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC){1|C<4>,2|H<1>,4|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>}	116.9660	0.000	1	116.9660	0.000	1	116.9660	0.000	1	116.9660	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	115.9580	0.000	1	115.9580	0.000	1	115.9580	0.000	1	115.9580	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	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>}	116.5640	0.000	1	116.5640	0.000	1	116.5640	0.000	1	116.5640	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:3:2:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	118.9710	0.000	1	118.4915	0.460	2	118.4915	0.460	2	118.4915	0.460	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:3:2:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	118.0120	0.000	1	118.4915	0.460	2	118.4915	0.460	2	118.4915	0.460	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:3:4:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]O[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]Cl2)(C[6a]C[6a]H)	C[6,6a](C[5,6]O[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]Cl2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	117.0790	0.011	2	117.0790	0.000	2	117.0790	0.000	2	117.0790	0.000	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:4:1:	3:2:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:O[6a]-2:S[6]-2:	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]O[6a]S[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(S[6]C[5,6])	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]O[6a]S[6])(C[6a]C[6a,6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(S[6]C[5,6]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	120.6085	0.276	2	120.6085	0.076	2	120.6085	0.076	2	120.6085	0.076	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H){2|C<4>,2|H<1>,3|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>}	118.5920	0.000	1	118.5920	0.000	1	118.5920	0.000	1	118.5920	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	117.6470	0.000	1	117.6470	0.000	1	118.5043	0.621	3	118.5043	0.621	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){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]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.6680	0.000	1	118.6680	0.000	1	118.5043	0.621	3	118.5043	0.621	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	119.1980	0.000	1	119.1980	0.000	1	118.5043	0.621	3	118.5043	0.621	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,3|H<1>,4|C<3>}	115.8335	0.189	2	115.8335	0.036	2	115.8335	0.036	2	116.6707	10.729	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	115.8560	0.000	1	115.8560	0.000	1	119.5495	27.284	2	116.6707	10.729	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	123.2430	0.000	1	123.2430	0.000	1	119.5495	27.284	2	116.6707	10.729	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	114.7060	0.000	1	114.6290	0.012	2	114.6290	0.012	2	116.6707	10.729	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	114.5520	0.000	1	114.6290	0.012	2	114.6290	0.012	2	116.6707	10.729	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	121.0290	0.000	1	121.1227	0.009	3	121.1227	0.009	3	121.1227	0.009	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.2180	0.000	1	121.1227	0.009	3	121.1227	0.009	3	121.1227	0.009	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	121.1210	0.000	1	121.1227	0.009	3	121.1227	0.009	3	121.1227	0.009	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I)	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|I<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I){2|H<1>,2|O<2>,3|C<3>}	117.8010	0.000	1	118.7930	1.968	2	118.7930	1.968	2	118.7930	1.968	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	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[6a]-3:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I)	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|I<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|H<1>,1|I<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I){2|H<1>,2|O<2>,3|C<3>}	119.7850	0.000	1	118.7930	1.968	2	118.7930	1.968	2	118.7930	1.968	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	124.5750	0.000	1	124.5750	0.000	1	124.5750	0.000	1	124.5750	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-2:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(S[5]C[5])(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(S[5]C[5])(COO){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	117.4690	0.000	1	117.4690	0.000	1	117.4690	0.000	1	117.4690	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:C[5]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH){4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.3840	0.000	1	117.3840	0.000	1	117.3840	0.000	1	117.3840	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:2:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<2>,2|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	115.6880	0.445	2	115.6880	0.198	2	115.6880	0.198	2	121.0779	8.346	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	123.2062	0.383	4	123.2062	0.147	4	123.2062	0.147	4	121.0779	8.346	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.0920	0.000	1	120.0920	0.000	1	118.7250	3.737	2	121.0779	8.346	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<2>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	117.3580	0.000	1	117.3580	0.000	1	118.7250	3.737	2	121.0779	8.346	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	119.6430	0.000	1	119.6430	0.000	1	119.6430	0.000	1	121.0779	8.346	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]S[6])	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	123.0780	0.068	2	123.0780	0.005	2	123.0780	0.005	2	121.0779	8.346	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	122.3840	0.000	1	122.6835	0.179	2	122.5470	0.146	3	121.0779	8.346	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H){1|O<2>,2|C<3>,3|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	122.9830	0.000	1	122.6835	0.179	2	122.5470	0.146	3	121.0779	8.346	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]S[6])	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|S<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]S[6]){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	122.2740	0.000	1	122.2740	0.000	1	122.5470	0.146	3	121.0779	8.346	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<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])(N[5,6]C[6]S[5])(H){1|N<3>,2|H<1>,3|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	118.3725	2.896	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,4|H<1>}	120.2480	0.000	1	120.2480	0.000	1	120.2480	0.000	1	118.3725	2.896	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[5,6,6]-3:C[6,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H)	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	118.5630	0.083	2	118.5630	0.007	2	118.5630	0.007	2	118.3725	2.896	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	120.2450	0.000	1	120.2450	0.000	1	120.8025	0.622	2	121.2501	0.542	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	121.3600	0.000	1	121.3600	0.000	1	120.8025	0.622	2	121.2501	0.542	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	120.6680	0.000	1	120.6555	0.000	2	121.0127	0.383	3	121.2501	0.542	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	120.6430	0.000	1	120.6555	0.000	2	121.0127	0.383	3	121.2501	0.542	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	121.7270	0.000	1	121.7270	0.000	1	121.0127	0.383	3	121.2501	0.542	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]S[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]S[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,1|S<3>,4|H<1>}	122.0540	0.000	2	122.0540	0.000	2	122.0540	0.000	2	121.2501	0.542	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[5,5,6]-3:C[6,6a]-3:N[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]N[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6]N[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5])	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	121.3180	0.000	1	121.3180	0.000	1	121.3180	0.000	1	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H){2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	121.0567	0.394	4	121.0567	0.155	4	120.9326	0.107	7	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6a]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	120.7765	0.185	2	120.7765	0.034	2	120.9326	0.107	7	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,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])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,3|O<2>,6|C<3>}	120.7480	0.000	1	120.7480	0.000	1	120.9326	0.107	7	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,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])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	121.1661	0.859	11	120.9854	0.730	14	121.5110	0.635	64	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	120.3227	0.467	3	120.9854	0.730	14	121.5110	0.635	64	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	120.9982	0.299	4	120.9982	0.089	4	121.5110	0.635	64	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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[6,6a]C[6,6a]2)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	123.3560	0.000	1	123.3560	0.000	1	121.5110	0.635	64	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	121.3808	0.605	5	121.3808	0.367	5	121.5110	0.635	64	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(O[5]C[5]){1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	122.4207	0.172	3	121.7164	0.479	40	121.5110	0.635	64	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	120.8480	0.000	1	121.7164	0.479	40	121.5110	0.635	64	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	120.7700	0.259	2	121.7164	0.479	40	121.5110	0.635	64	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	121.3500	0.477	4	121.7164	0.479	40	121.5110	0.635	64	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	121.7600	0.000	1	121.7164	0.479	40	121.5110	0.635	64	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	121.9709	0.661	22	121.7164	0.479	40	121.5110	0.635	64	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	121.2126	0.389	7	121.7164	0.479	40	121.5110	0.635	64	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,2|O<2>,6|C<3>}	122.2260	0.000	1	122.2260	0.000	1	122.2260	0.000	1	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,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])2(S[5]C[5]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	122.1890	0.163	2	121.7848	0.656	11	121.7848	0.656	11	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(S[5]C[5]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	121.7925	0.523	4	121.7848	0.656	11	121.7848	0.656	11	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(S[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	121.6560	1.585	2	121.7848	0.656	11	121.7848	0.656	11	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(S[5]C[5]){1|O<2>,1|S<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	120.9330	0.368	2	121.7848	0.656	11	121.7848	0.656	11	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(S[5]C[5]){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	122.9070	0.000	1	121.7848	0.656	11	121.7848	0.656	11	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,1|S<2>,5|C<3>}	122.8960	0.000	1	122.8960	0.000	1	122.8960	0.000	1	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:Se[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(Se[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(Se[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Se<2>,1|H<1>,1|N<3>,4|C<3>}	121.6515	1.054	2	121.6515	1.112	2	121.6515	1.112	2	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6a]-3:O[5,6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]O[5,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6a]O[5,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|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[6a]C[6a]N[6a])(O[5,6]C[5,6]){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|H<1>,5|C<3>}	115.6660	0.000	1	115.6660	0.000	1	115.6660	0.000	1	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	121.8647	0.146	3	121.8647	0.021	3	121.8647	0.021	3	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){2|H<1>,8|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	119.4117	0.312	3	119.4117	0.097	3	119.4117	0.097	3	121.4054	1.085	94	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	121.7235	0.456	2	121.7235	0.208	2	121.2390	0.392	4	120.3239	2.847	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|O<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	120.6350	0.000	1	120.6350	0.000	1	121.2390	0.392	4	120.3239	2.847	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,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])2(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){3|O<2>,4|C<3>}	120.8740	0.000	1	120.8740	0.000	1	121.2390	0.392	4	120.3239	2.847	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|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])2(O[5]C[5]){1|N<3>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.9892	0.382	4	119.9892	0.146	4	119.9892	0.146	4	120.3239	2.847	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,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[6]C[6]H)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,3|C<3>,3|H<1>}	121.7820	0.000	2	121.7820	0.000	2	121.7500	0.001	4	120.3239	2.847	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,3|C<3>,3|H<1>}	121.7180	0.000	2	121.7180	0.000	2	121.7500	0.001	4	120.3239	2.847	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,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[6]C[6]O)(O[5]C[5]){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	119.2930	0.000	1	119.2930	0.000	1	119.2930	0.000	1	120.3239	2.847	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	116.8260	0.882	2	116.8260	0.779	2	116.8260	0.779	2	120.3239	2.847	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,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])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	121.1530	0.000	1	120.2850	4.403	5	120.7786	2.583	9	120.7786	2.583	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,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])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	121.3770	0.000	1	120.2850	4.403	5	120.7786	2.583	9	120.7786	2.583	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.6220	0.000	1	120.2850	4.403	5	120.7786	2.583	9	120.7786	2.583	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	120.6910	0.000	1	120.2850	4.403	5	120.7786	2.583	9	120.7786	2.583	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	116.5820	0.000	1	120.2850	4.403	5	120.7786	2.583	9	120.7786	2.583	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,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])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	120.9530	0.000	1	120.9530	0.000	1	120.7786	2.583	9	120.7786	2.583	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,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])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	121.4190	0.000	1	121.4535	0.002	2	120.7786	2.583	9	120.7786	2.583	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	121.4880	0.000	1	121.4535	0.002	2	120.7786	2.583	9	120.7786	2.583	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,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])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	121.7220	0.000	1	121.7220	0.000	1	120.7786	2.583	9	120.7786	2.583	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(Si[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|C<4>,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])2(O[5]C[5]){1|Si<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(Si[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	123.4733	2.127	8	123.4733	4.526	8	123.4733	4.526	8	123.4733	4.526	8	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|O<2>,2|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|H<1>,5|C<3>}	120.5660	0.000	1	120.5660	0.000	1	121.5783	1.055	22	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	122.2104	1.272	5	121.6265	1.054	21	121.5783	1.055	22	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|O<2>,2|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|H<1>,5|C<3>}	121.2650	0.000	1	121.6265	1.054	21	121.5783	1.055	22	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,5|C<3>}	119.4360	0.000	1	121.6265	1.054	21	121.5783	1.055	22	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	121.8940	0.639	2	121.6265	1.054	21	121.5783	1.055	22	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	121.5512	0.818	12	121.6265	1.054	21	121.5783	1.055	22	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	122.9740	0.000	1	122.5713	0.419	7	122.5713	0.419	7	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	122.1320	0.624	2	122.5713	0.419	7	122.5713	0.419	7	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	122.6902	0.712	4	122.5713	0.419	7	122.5713	0.419	7	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){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])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){2|H<1>,7|C<3>}	122.3235	0.572	2	122.3235	0.327	2	122.3235	0.327	2	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5a,6])	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5a,6]){1|C<4>,1|H<1>,5|C<3>}	123.9890	0.000	1	123.9890	0.000	1	123.8098	0.173	4	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6])	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6]){2|H<1>,5|C<3>}	123.6785	0.668	2	123.7500	0.239	3	123.8098	0.173	4	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6])	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6]){2|H<1>,5|C<3>}	123.8930	0.000	1	123.7500	0.239	3	123.8098	0.173	4	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]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]C)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,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[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[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){2|H<1>,2|N<3>,5|C<3>}	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]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]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,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]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]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]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,6|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[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|N<3>,2|H<1>,6|C<3>}	122.5070	0.000	1	122.5070	0.000	1	123.0923	0.258	3	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	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[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<2>,1|N<3>,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[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[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	123.4110	0.000	1	123.3850	0.001	2	123.0923	0.258	3	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	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[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<2>,1|N<3>,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[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[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	123.3590	0.000	1	123.3850	0.001	2	123.0923	0.258	3	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[5,6]C[5,6a]C[6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|N<2>,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[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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|N<3>,4|C<3>}	121.6990	0.000	1	121.6990	0.000	1	121.6990	0.000	1	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|N<3>,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])2(C[5]N[5]O){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	123.1937	0.441	8	123.1937	0.195	8	123.1937	0.195	8	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	122.1850	0.206	2	122.1850	0.043	2	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,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])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	122.7930	0.000	1	122.2300	0.347	49	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,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])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|N<4>,4|C<3>}	121.9560	0.221	2	122.2300	0.347	49	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,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])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	122.1440	0.332	2	122.2300	0.347	49	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,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])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	122.3007	0.607	22	122.2300	0.347	49	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	122.1665	0.621	22	122.2300	0.347	49	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	121.9910	0.000	1	121.5774	0.982	67	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|N<4>,4|C<3>}	121.5220	0.034	2	121.5774	0.982	67	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	121.9393	0.636	16	121.5774	0.982	67	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	122.2950	0.014	2	121.5774	0.982	67	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	121.5750	0.000	1	121.5774	0.982	67	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<1>,1|N<3>,4|C<3>}	121.4900	0.000	1	121.5774	0.982	67	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	122.7040	0.000	1	121.5774	0.982	67	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	121.0615	1.110	6	121.5774	0.982	67	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){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])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	121.5901	0.904	25	121.5774	0.982	67	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,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])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	120.0625	1.669	4	121.5774	0.982	67	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,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])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	121.6111	1.148	8	121.5774	0.982	67	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5]){1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	122.3102	0.379	8	122.3102	0.144	8	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|N<2>,1|O<1>,1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	122.1005	0.362	10	122.1895	0.129	20	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	122.2785	0.352	10	122.1895	0.129	20	121.9287	0.692	146	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	115.7720	0.000	1	115.7720	0.000	1	115.7720	0.000	1	121.9859	1.039	196	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{4|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.1280	0.000	1	122.7500	0.286	2	122.7500	0.286	2	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{4|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.3720	0.000	1	122.7500	0.286	2	122.7500	0.286	2	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,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])2{1|N<3>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.6795	0.035	2	121.4217	1.159	12	121.4217	1.159	12	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|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])2{1|N<3>,2|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.5855	0.101	2	121.4217	1.159	12	121.4217	1.159	12	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|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])2{1|N<3>,3|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.3545	0.271	4	121.4217	1.159	12	121.4217	1.159	12	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|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])2{1|N<3>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.2780	1.467	4	121.4217	1.159	12	121.4217	1.159	12	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){3|H<1>,4|C<3>}	122.5250	0.000	1	122.5250	0.000	1	121.6643	0.677	3	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	120.8860	0.000	1	120.8860	0.000	1	121.6643	0.677	3	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	121.5820	0.000	1	121.5820	0.000	1	121.6643	0.677	3	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|N<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H){1|N<3>,1|O<2>,2|O<1>,3|C<3>}	123.8690	0.000	1	123.8690	0.000	1	123.8690	0.000	1	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,5|C<3>}	117.0520	0.000	1	117.0520	0.000	1	117.0520	0.000	1	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,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]C[5]Si)(C[6]C[6]O){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	120.1410	0.000	1	120.1410	0.000	1	120.2440	0.371	7	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|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[5a]C[5])(C[6]C[6]H){1|S<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){3|H<1>,4|C<3>}	120.6220	0.000	1	120.6220	0.000	1	120.2440	0.371	7	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	119.9100	1.117	2	120.1890	0.514	5	120.2440	0.371	7	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	120.4660	0.000	1	120.1890	0.514	5	120.2440	0.371	7	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	120.3295	0.732	2	120.1890	0.514	5	120.2440	0.371	7	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5]){1|N<2>,1|N<3>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.9265	0.234	2	121.9265	0.055	2	121.9265	0.055	2	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,5a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	120.4550	0.000	1	120.4550	0.000	1	120.4550	0.000	1	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	121.3420	0.000	1	121.3420	0.000	1	121.3420	0.000	1	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	123.5590	0.126	2	123.5590	0.016	2	123.5590	0.016	2	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]2C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]2C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,5|C<3>}	122.0280	0.000	1	122.0280	0.000	1	122.0280	0.000	1	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.3188	0.907	5	121.3188	0.822	5	121.3188	0.822	5	121.3572	1.874	38	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){4|C<3>,4|H<1>}	121.7550	0.000	1	121.7550	0.000	1	121.7550	0.000	1	120.2766	5.145	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){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[6,6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){3|H<1>,4|C<3>}	121.1970	0.000	1	121.1970	0.000	1	120.5950	0.725	2	120.2766	5.145	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){3|H<1>,4|C<3>}	119.9930	0.000	1	119.9930	0.000	1	120.5950	0.725	2	120.2766	5.145	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5a]-3:N[5,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]N[5,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]N[5,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|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[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.7740	0.000	1	120.7740	0.000	1	120.7740	0.000	1	120.2766	5.145	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	115.4330	0.000	1	115.4330	0.000	1	115.4330	0.000	1	120.2766	5.145	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	122.2760	0.000	1	122.2760	0.000	1	122.2760	0.000	1	120.2766	5.145	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	120.5080	0.000	1	120.5080	0.000	1	120.5080	0.000	1	120.2766	5.145	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6,6a]C[5,5a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6a]C[5,5a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,9|C<3>}	118.2040	0.000	1	118.2040	0.000	1	118.2040	0.000	1	123.5789	7.108	16	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.7160	0.000	1	116.7160	0.000	1	116.7160	0.000	1	123.5789	7.108	16	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|C<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,9|C<3>}	123.3768	0.391	4	123.3768	0.153	4	123.3768	0.153	4	123.5789	7.108	16	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.8836	1.201	10	124.8836	1.443	10	124.8836	1.443	10	123.5789	7.108	16	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	117.4000	0.000	1	117.4000	0.000	1	116.9873	0.146	7	119.6106	6.852	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	116.7827	0.377	4	116.7827	0.142	4	116.9873	0.146	7	119.6106	6.852	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	117.1900	0.171	2	117.1900	0.029	2	116.9873	0.146	7	119.6106	6.852	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	122.1510	0.000	1	122.3129	0.122	7	122.3129	0.122	7	119.6106	6.852	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	122.3398	0.375	6	122.3129	0.122	7	122.3129	0.122	7	119.6106	6.852	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[5]-3:C[5]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]HH){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.4365	0.278	2	121.4365	0.077	2	121.4365	0.077	2	119.6106	6.852	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.5080	0.000	2	117.5080	0.000	2	117.5080	0.000	2	119.6106	6.852	18	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,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])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.6470	0.000	1	121.6470	0.000	1	121.6470	0.000	1	120.8187	1.367	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:N[5]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]H)(N[5]C[5,6]S)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]H)(N[5]C[5,6]S)(C[6]O[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	120.8187	1.367	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<3>,3|H<1>}	121.3280	0.000	1	121.3280	0.000	1	121.3280	0.000	1	120.8187	1.367	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.9150	0.000	1	120.8825	0.002	2	120.6868	0.853	5	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.8500	0.000	1	120.8825	0.002	2	120.6868	0.853	5	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.2880	0.000	1	119.9100	0.774	2	120.6868	0.853	5	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.5320	0.000	1	119.9100	0.774	2	120.6868	0.853	5	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.8490	0.000	1	121.8490	0.000	1	120.6868	0.853	5	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.1920	0.000	1	120.4080	8.941	3	120.4080	8.941	3	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.0760	0.000	1	120.4080	8.941	3	120.4080	8.941	3	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	116.9560	0.000	1	120.4080	8.941	3	120.4080	8.941	3	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H){1|N<2>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	117.4935	0.009	2	117.4935	0.000	2	117.4935	0.000	2	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	122.1630	0.000	1	122.1630	0.000	1	121.4856	9.354	5	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	124.0440	0.000	1	124.0440	0.000	1	121.4856	9.354	5	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	123.8020	0.000	1	123.8020	0.000	1	121.4856	9.354	5	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.9040	0.000	1	118.7095	9.632	2	121.4856	9.354	5	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	116.5150	0.000	1	118.7095	9.632	2	121.4856	9.354	5	120.4715	5.845	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]H)	C[6,6a](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	120.7895	0.115	2	120.7895	0.013	2	120.7895	0.013	2	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	121.4450	0.000	1	121.4450	0.000	1	119.1570	10.470	2	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,3|C<3>,3|H<1>}	116.8690	0.000	1	116.8690	0.000	1	119.1570	10.470	2	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|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[5,6]C[5,6]C[5]H)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	122.3495	0.095	2	122.3495	0.009	2	122.3495	0.009	2	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(H)	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,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[5,6]C[5a,6]C[5]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.5670	0.000	1	122.5670	0.000	1	122.5670	0.000	1	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O){1|H<1>,1|S<4>,2|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|O<1>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	124.6220	0.000	1	124.6220	0.000	1	124.6220	0.000	1	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H){2|O<1>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.1530	0.000	1	119.1530	0.000	1	119.1530	0.000	1	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(C[5]C[5]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(C[5]C[5]CC)(H){3|C<3>,4|H<1>}	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>}	118.6880	0.000	1	118.6880	0.000	1	118.6880	0.000	1	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(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[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H){3|H<1>,6|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>}	118.7650	0.000	1	118.7650	0.000	1	117.1280	4.024	7	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|C<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.1980	0.000	1	116.9110	0.165	2	117.1280	4.024	7	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(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[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.6240	0.000	1	116.9110	0.165	2	117.1280	4.024	7	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.6530	0.000	1	120.6530	0.000	1	117.1280	4.024	7	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.4920	0.000	1	116.4920	0.000	1	117.1280	4.024	7	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H){1|H<1>,2|C<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	115.0820	0.055	2	115.0820	0.003	2	117.1280	4.024	7	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	120.4000	0.000	1	120.4000	0.000	1	120.8020	0.182	4	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.9360	0.407	3	120.9360	0.166	3	120.8020	0.182	4	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[5,6,6]-3:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.9090	0.160	2	118.9090	0.026	2	118.9090	0.026	2	119.6014	5.762	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	119.0720	0.000	1	119.0720	0.000	1	118.2024	1.493	5	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	117.9850	1.294	4	117.9850	1.676	4	118.2024	1.493	5	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.6060	0.000	1	119.6060	0.000	1	119.6060	0.000	1	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	119.3990	0.000	1	119.3990	0.000	1	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.2530	0.000	1	121.2530	0.000	1	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.5990	0.000	1	121.5990	0.000	1	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.3440	0.000	1	120.3440	0.000	1	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.1700	0.000	1	121.3900	0.097	2	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.6100	0.000	1	121.3900	0.097	2	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	121.4120	0.000	1	121.4120	0.000	1	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	118.4050	0.000	1	118.4050	0.000	1	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	118.0660	0.000	1	118.0660	0.000	1	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.2700	0.000	1	121.6971	0.478	9	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.0520	0.000	2	121.6971	0.478	9	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.1010	0.000	1	121.6971	0.478	9	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.8670	0.000	1	121.6971	0.478	9	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.3105	1.165	2	121.6971	0.478	9	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.9970	0.000	1	121.6971	0.478	9	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.3140	0.000	1	121.6971	0.478	9	121.0296	1.618	18	120.3828	2.725	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	117.6490	0.000	2	117.6490	0.000	2	117.6490	0.000	2	119.2921	1.289	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	119.3657	0.364	6	119.3657	0.132	6	119.3657	0.132	6	119.2921	1.289	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.0920	0.000	1	119.8626	2.260	5	119.8626	2.260	5	119.2921	1.289	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	119.3053	0.970	4	119.8626	2.260	5	119.8626	2.260	5	119.2921	1.289	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	119.2840	0.000	1	119.2840	0.000	1	119.2840	0.000	1	119.2921	1.289	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH){1|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	118.8245	0.769	2	118.8245	0.591	2	118.8245	0.591	2	118.6557	0.324	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5]){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	118.4870	0.518	2	118.4870	0.268	2	118.4870	0.268	2	118.6557	0.324	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	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]S[6]H)(C[5]N[5]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6])	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|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]S[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	122.9010	0.000	1	122.7055	0.036	6	122.7055	0.036	6	122.7055	0.036	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	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]S[6]H)(C[5]N[5]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6])	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|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]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	122.6664	0.182	5	122.7055	0.036	6	122.7055	0.036	6	122.7055	0.036	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	121.7940	0.921	2	121.7940	0.848	2	121.2028	1.064	4	121.1009	1.893	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.2990	0.000	1	121.2990	0.000	1	121.2028	1.064	4	121.1009	1.893	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	119.9240	0.000	1	119.9240	0.000	1	121.2028	1.064	4	121.1009	1.893	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|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[6,6a]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	119.0610	0.000	1	119.0610	0.000	1	119.0610	0.000	1	121.1009	1.893	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,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[6]C[6]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	121.1009	1.893	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|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[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.6000	0.000	1	121.6000	0.000	1	121.9146	0.057	5	121.1009	1.893	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	121.8750	0.000	1	121.8750	0.000	1	121.9146	0.057	5	121.1009	1.893	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,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[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	122.0327	0.207	3	122.0327	0.043	3	121.9146	0.057	5	121.1009	1.893	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	123.1260	0.000	1	123.1260	0.000	1	123.1260	0.000	1	121.1009	1.893	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.2400	0.772	2	120.2400	0.596	2	120.2400	0.596	2	121.1009	1.893	14	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,5|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[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,6|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	121.6410	0.488	3	121.6410	0.238	3	121.6410	0.238	3	121.5498	0.728	10	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	121.8600	0.000	1	121.8600	0.000	1	121.8600	0.000	1	121.5498	0.728	10	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	120.0880	0.523	2	120.0880	0.274	2	121.3258	1.354	5	121.5498	0.728	10	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,7|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	122.2090	0.000	1	122.2090	0.000	1	121.3258	1.354	5	121.5498	0.728	10	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	122.1220	0.175	2	122.1220	0.031	2	121.3258	1.354	5	121.5498	0.728	10	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2){2|C<4>,5|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1	121.5498	0.728	10	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5,6]C[6,6a]2C[5])(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	116.1763	0.400	4	116.1763	0.160	4	116.1763	0.160	4	115.9657	0.425	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	115.5445	1.054	2	115.5445	1.112	2	115.5445	1.112	2	115.9657	0.425	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5a]C[5,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5a]C[5,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3){1|O<2>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	120.1313	3.668	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6])	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|O<2>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3){1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	120.2250	0.000	1	120.2250	0.000	1	120.2250	0.000	1	120.1313	3.668	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	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]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	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]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	118.1710	0.000	1	118.1710	0.000	1	118.1710	0.000	1	120.1313	3.668	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.4745	0.467	2	121.4745	0.218	2	121.4745	0.218	2	119.9370	4.029	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]O[5]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,5|C<3>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]O[5]HH){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	117.7560	0.040	2	117.7560	0.002	2	117.7560	0.002	2	119.9370	4.029	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|H<1>,5|C<4>}	121.2240	0.000	1	121.2240	0.000	1	121.2240	0.000	1	119.9370	4.029	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	121.1060	0.000	1	121.2705	0.054	2	121.2705	0.054	2	121.7514	0.237	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	121.4350	0.000	1	121.2705	0.054	2	121.2705	0.054	2	121.7514	0.237	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	121.9410	0.139	2	122.0720	0.061	3	122.0720	0.061	3	121.7514	0.237	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	122.3340	0.000	1	122.0720	0.061	3	122.0720	0.061	3	121.7514	0.237	5	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	116.7000	0.000	1	116.7000	0.000	1	120.0696	3.874	9	120.0696	3.874	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	121.9495	0.340	2	121.3818	0.494	5	120.0696	3.874	9	120.0696	3.874	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	121.0033	0.626	3	121.3818	0.494	5	120.0696	3.874	9	120.0696	3.874	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	119.5590	0.000	1	119.5590	0.000	1	120.0696	3.874	9	120.0696	3.874	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.3410	0.000	1	120.3410	0.000	1	120.0696	3.874	9	120.0696	3.874	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.1170	0.000	1	117.1170	0.000	1	120.0696	3.874	9	120.0696	3.874	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	112.4490	0.301	2	112.4490	0.091	2	118.0351	14.951	8	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.2840	0.000	1	119.2840	0.000	1	118.0351	14.951	8	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.5590	0.000	1	119.5590	0.000	1	118.0351	14.951	8	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H){3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.3110	0.000	1	119.3110	0.000	1	118.0351	14.951	8	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.6940	0.000	1	119.6940	0.000	1	118.0351	14.951	8	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	117.6880	0.000	1	117.6880	0.000	1	118.0351	14.951	8	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	123.8470	0.000	1	123.8470	0.000	1	118.0351	14.951	8	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Cl<1>,1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.6945	0.284	2	120.6945	0.080	2	120.8783	0.869	12	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.2620	0.000	1	121.2620	0.000	1	120.8783	0.869	12	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.9690	0.000	1	120.9220	0.398	7	120.8783	0.869	12	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.3470	0.000	1	120.9220	0.398	7	120.8783	0.869	12	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.7330	0.018	2	120.9220	0.398	7	120.8783	0.869	12	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.5573	0.567	3	120.9220	0.398	7	120.8783	0.869	12	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	122.5620	0.000	1	122.5620	0.000	1	120.8783	0.869	12	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.8730	0.000	1	118.8730	0.000	1	120.8783	0.869	12	119.7411	8.054	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.8790	0.000	1	121.5248	0.111	6	121.4866	0.103	7	121.4866	0.103	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.1740	0.000	1	121.5248	0.111	6	121.4866	0.103	7	121.4866	0.103	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.7050	0.389	2	121.5248	0.111	6	121.4866	0.103	7	121.4866	0.103	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.4540	0.000	1	121.5248	0.111	6	121.4866	0.103	7	121.4866	0.103	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.2320	0.000	1	121.5248	0.111	6	121.4866	0.103	7	121.4866	0.103	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.2570	0.000	1	121.2570	0.000	1	121.4866	0.103	7	121.4866	0.103	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[5,6a]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[5,6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	119.1470	0.000	1	119.1470	0.000	1	118.8633	0.293	3	118.8633	0.293	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]O)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	119.2040	0.000	1	119.2040	0.000	1	118.8633	0.293	3	118.8633	0.293	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.2390	0.000	1	118.2390	0.000	1	118.8633	0.293	3	118.8633	0.293	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.5800	0.000	1	120.5800	0.000	1	120.5800	0.000	1	120.5800	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]O[5]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	117.7500	0.000	1	117.7500	0.000	1	117.7500	0.000	1	117.7500	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	120.6950	0.272	2	120.6950	0.074	2	120.6950	0.074	2	119.8637	2.267	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	119.8637	2.267	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CC)(O[5]C[5])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CC)(O[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.6250	0.000	1	117.6250	0.000	1	117.6250	0.000	1	119.8637	2.267	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:2:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	118.6210	0.000	1	118.6210	0.000	1	118.6210	0.000	1	118.6210	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	120.2860	0.000	1	120.2860	0.000	1	119.9960	0.168	2	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	119.7060	0.000	1	119.7060	0.000	1	119.9960	0.168	2	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H){1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.3170	0.000	1	119.3170	0.000	1	119.3170	0.000	1	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.1490	0.000	1	121.1490	0.000	1	121.1490	0.000	1	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|N<2>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.9510	0.000	1	120.9510	0.000	1	120.9510	0.000	1	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	117.6880	0.000	1	117.6880	0.000	1	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	117.2290	0.000	1	117.2290	0.000	1	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5,5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5,5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	120.8935	1.160	2	120.8935	1.346	2	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.1320	0.000	1	120.4230	0.485	4	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.8910	0.000	1	120.4230	0.485	4	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.8345	0.200	2	120.4230	0.485	4	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.8350	0.000	1	121.0335	0.277	4	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.0997	0.624	3	121.0335	0.277	4	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.5830	0.000	1	120.5830	0.000	1	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.9710	0.346	4	120.9710	0.120	4	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.9945	0.071	2	120.9945	0.005	2	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	119.5130	0.000	1	119.5130	0.000	1	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.4525	0.429	2	120.4525	0.184	2	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.7750	0.062	2	120.7750	0.004	2	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	120.3030	0.000	1	120.3030	0.000	1	120.4503	1.115	25	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|S<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	123.2560	0.000	1	123.2560	0.000	1	123.2357	0.011	3	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	123.2255	0.145	2	123.2255	0.021	2	123.2357	0.011	3	120.6780	1.592	33	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[3,5]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[3,5]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.4770	0.000	1	120.4770	0.000	1	120.4770	0.000	1	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.8080	0.000	2	120.8080	0.000	2	119.9367	2.278	3	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.1940	0.000	1	118.1940	0.000	1	119.9367	2.278	3	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	121.1220	0.000	1	121.1220	0.000	1	120.9364	0.327	13	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	120.7940	0.000	1	121.1253	0.045	6	120.9364	0.327	13	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	121.2590	0.000	1	121.1253	0.045	6	120.9364	0.327	13	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	121.1200	0.132	2	121.1253	0.045	6	120.9364	0.327	13	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	121.2295	0.237	2	121.1253	0.045	6	120.9364	0.327	13	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	121.1480	0.000	1	120.5680	0.624	5	120.9364	0.327	13	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	120.0250	0.295	3	120.5680	0.624	5	120.9364	0.327	13	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	121.6170	0.000	1	120.5680	0.624	5	120.9364	0.327	13	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	121.4590	0.000	1	121.4590	0.000	1	120.9364	0.327	13	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H){2|H<1>,3|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>}	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.6280	0.000	1	119.6280	0.000	1	118.3340	3.349	2	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.0400	0.000	1	117.0400	0.000	1	118.3340	3.349	2	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	119.5060	0.000	1	119.5060	0.000	1	119.8300	0.475	9	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	120.1490	0.000	1	119.5405	0.741	2	119.8300	0.475	9	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.9320	0.000	1	119.5405	0.741	2	119.8300	0.475	9	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	119.7720	0.000	1	119.7720	0.000	1	119.8300	0.475	9	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	121.3050	0.000	1	121.3050	0.000	1	119.8300	0.475	9	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	120.1240	0.000	1	120.1240	0.000	1	119.8300	0.475	9	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	119.9270	0.000	1	119.9270	0.000	1	119.8300	0.475	9	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.3775	0.315	2	119.3775	0.099	2	119.8300	0.475	9	120.2005	1.253	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	116.7160	0.286	2	116.7160	0.082	2	116.7160	0.082	2	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.1250	0.000	1	120.1250	0.000	1	121.3313	1.272	3	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.9345	0.602	2	121.9345	0.362	2	121.3313	1.272	3	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	121.3820	0.000	1	121.3820	0.000	1	121.5440	0.134	3	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	121.2870	0.000	1	121.2870	0.000	1	121.5440	0.134	3	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	121.9630	0.000	1	121.9630	0.000	1	121.5440	0.134	3	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.0110	0.000	1	121.4003	1.457	6	121.2883	1.110	8	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|S<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.8570	0.000	1	121.4003	1.457	6	121.2883	1.110	8	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.0983	0.629	3	121.4003	1.457	6	121.2883	1.110	8	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	119.2390	0.000	1	121.4003	1.457	6	121.2883	1.110	8	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	120.9520	0.430	2	120.9520	0.185	2	121.2883	1.110	8	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.1120	0.000	1	122.1120	0.000	1	119.6654	1.928	5	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.0538	0.277	4	119.0538	0.077	4	119.6654	1.928	5	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.5570	0.000	1	120.5570	0.000	1	120.5952	0.798	4	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.2280	0.291	2	120.6080	1.196	3	120.5952	0.798	4	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.3680	0.000	1	120.6080	1.196	3	120.5952	0.798	4	120.5229	2.634	25	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	119.2140	0.000	1	117.9555	3.168	2	117.9555	3.168	2	119.2523	2.209	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	116.6970	0.000	1	117.9555	3.168	2	117.9555	3.168	2	119.2523	2.209	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(C[5]C[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.4110	0.000	1	119.4110	0.000	1	119.5675	2.011	6	119.2523	2.209	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.0760	0.000	1	119.0760	0.000	1	119.5675	2.011	6	119.2523	2.209	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	117.7590	0.000	1	117.7590	0.000	1	119.5675	2.011	6	119.2523	2.209	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	121.2480	0.223	2	121.2480	0.050	2	119.5675	2.011	6	119.2523	2.209	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	118.6630	0.000	1	118.6630	0.000	1	119.5675	2.011	6	119.2523	2.209	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.9550	0.000	1	119.9550	0.000	1	119.9550	0.000	1	119.2523	2.209	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:2:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[5]C[5]C)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.2540	0.000	1	123.2540	0.000	1	123.2540	0.000	1	123.2540	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	117.2950	0.000	1	115.8545	4.150	2	115.8545	4.150	2	118.8311	2.504	23	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	114.4140	0.000	1	115.8545	4.150	2	115.8545	4.150	2	118.8311	2.504	23	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	121.2185	0.080	2	121.0473	0.091	3	121.0473	0.091	3	118.8311	2.504	23	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	120.7050	0.000	1	121.0473	0.091	3	121.0473	0.091	3	118.8311	2.504	23	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:S-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]S)(SC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]S)(SC){2|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,3|H<1>}	118.0000	0.000	1	118.0000	0.000	1	118.0000	0.000	1	118.8311	2.504	23	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.0572	0.731	8	119.0572	0.534	8	118.9641	0.890	16	118.8311	2.504	23	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.5210	0.000	1	120.5210	0.000	1	118.9641	0.890	16	118.8311	2.504	23	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.6353	1.030	7	118.6353	1.061	7	118.9641	0.890	16	118.8311	2.504	23	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	116.8390	0.000	1	116.8390	0.000	1	116.8390	0.000	1	118.8311	2.504	23	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.4580	0.000	1	123.4580	0.000	1	123.4580	0.000	1	123.0700	0.301	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.6820	0.000	1	122.6820	0.000	1	122.6820	0.000	1	123.0700	0.301	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.2990	0.000	1	119.2990	0.000	1	119.2990	0.000	1	121.2398	2.423	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.4860	0.301	2	122.4860	0.091	2	122.4860	0.091	2	121.2398	2.423	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1	121.2398	2.423	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	115.0070	0.000	1	115.0070	0.000	1	115.0070	0.000	1	119.4253	8.748	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.7550	0.000	1	120.7550	0.000	1	120.8980	0.108	3	119.4253	8.748	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.9695	0.431	2	120.9695	0.185	2	120.8980	0.108	3	119.4253	8.748	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH){1|C<4>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	122.0490	0.000	1	122.0490	0.000	1	122.0490	0.000	1	118.2075	29.514	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|H<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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,4|H<1>,5|C<3>}	114.3660	0.000	1	114.3660	0.000	1	114.3660	0.000	1	118.2075	29.514	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,4|C<3>,5|H<1>}	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	117.2580	0.000	1	117.2580	0.000	1	117.2580	0.000	1	117.2580	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.0110	0.000	1	122.0110	0.000	1	122.0110	0.000	1	119.6527	6.138	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<4>,1|O<1>,2|C<3>,2|H<1>}	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	119.6527	6.138	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]S[6])(CF3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]S[6])(CF3){1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	119.8760	0.000	1	119.8760	0.000	1	119.8760	0.000	1	119.6527	6.138	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|H<1>,4|C<4>}	117.4160	0.000	1	117.4160	0.000	1	119.5065	8.740	2	119.3155	1.838	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]H){2|C<3>,2|C<4>,2|H<1>}	121.5970	0.000	1	121.5970	0.000	1	119.5065	8.740	2	119.3155	1.838	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.0540	0.000	1	119.0540	0.000	1	119.0540	0.000	1	119.3155	1.838	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]N[6])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]N[6])(CH3){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.0760	0.000	1	119.0760	0.000	1	119.0760	0.000	1	119.3155	1.838	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(N[5,6]C[5]C[6])(CF3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(N[5,6]C[5]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	119.3750	0.494	2	119.3750	0.244	2	119.3750	0.244	2	119.3155	1.838	6	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.3055	0.250	2	120.3055	0.062	2	120.4163	0.068	3	120.9491	1.291	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	120.6380	0.000	1	120.6380	0.000	1	120.4163	0.068	3	120.9491	1.291	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH){3|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.7160	0.000	1	122.7160	0.000	1	122.5325	0.067	2	120.9491	1.291	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<4>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.3490	0.000	1	122.3490	0.000	1	122.5325	0.067	2	120.9491	1.291	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]S[6])(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(S[6]N[5,6]OO)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]S[6])(C[6a]C[5,6a]H){1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(S[6]N[5,6]OO){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	120.1650	0.669	2	120.1650	0.447	2	120.1650	0.447	2	120.9491	1.291	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	118.9390	0.000	1	118.9390	0.000	1	118.9390	0.000	1	118.9390	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5,5]C[5]3)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5,5]C[5]3)(H){1|O<2>,3|H<1>,3|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	121.0050	0.267	3	120.9775	0.050	4	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	120.8950	0.000	1	120.9775	0.050	4	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.9670	0.000	1	117.9670	0.000	1	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.5380	0.000	1	117.5380	0.000	1	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.5880	0.000	1	117.5200	0.009	2	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.4520	0.000	1	117.5200	0.009	2	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.8890	0.000	1	121.8890	0.000	1	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]O[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]O[5]C)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.6040	0.000	1	120.6040	0.000	1	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.5935	0.658	2	119.2673	0.415	4	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<2>,1|S<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	118.5010	0.000	1	119.2673	0.415	4	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.3810	0.000	1	119.2673	0.415	4	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H){1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	120.1000	0.000	1	120.5420	0.391	2	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	120.9840	0.000	1	120.5420	0.391	2	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	121.6110	0.000	1	121.6110	0.000	1	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	120.9410	0.000	1	120.9410	0.000	1	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	122.9910	0.000	1	122.9910	0.000	1	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	122.2010	0.000	1	122.2010	0.000	1	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	123.3190	0.000	1	123.3190	0.000	1	120.2935	3.063	21	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	116.4930	0.000	1	116.4930	0.000	1	119.0478	6.009	6	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<3>,2|O<1>,4|C<4>}	119.0543	2.578	3	119.0543	6.647	3	119.0478	6.009	6	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	122.1880	0.000	1	120.3155	7.013	2	119.0478	6.009	6	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<3>,2|O<1>,4|C<4>}	118.4430	0.000	1	120.3155	7.013	2	119.0478	6.009	6	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	120.0180	0.000	1	120.0180	0.000	1	120.0180	0.000	1	120.0465	3.545	29	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	122.5270	0.000	1	122.5270	0.000	1	122.5270	0.000	1	119.4301	7.320	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	121.9620	0.000	1	121.9620	0.000	1	122.7615	1.278	2	119.4301	7.320	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,1|S<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	123.5610	0.000	1	123.5610	0.000	1	122.7615	1.278	2	119.4301	7.320	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H){1|C<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	120.7085	0.134	2	120.7085	0.018	2	119.7700	8.509	4	119.4301	7.320	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,6|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.1470	0.000	1	122.1470	0.000	1	119.7700	8.509	4	119.4301	7.320	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	115.5160	0.000	1	115.5160	0.000	1	119.7700	8.509	4	119.4301	7.320	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H){1|Br<1>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	118.7570	0.000	1	118.7570	0.000	1	118.0403	3.996	8	119.4301	7.320	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.5360	0.264	2	118.5360	0.070	2	118.0403	3.996	8	119.4301	7.320	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	114.4250	0.000	1	114.4250	0.000	1	118.0403	3.996	8	119.4301	7.320	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.4260	1.225	3	119.4260	1.500	3	118.0403	3.996	8	119.4301	7.320	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	115.7900	0.000	1	115.7900	0.000	1	118.0403	3.996	8	119.4301	7.320	15	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:Br-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]Br)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(C[5]C[5,6a]HO)(Br)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[5,6]C[5,6]C[5]Br)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(C[5]C[5,6a]HO)(Br){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	114.2270	0.000	1	114.2270	0.000	1	114.2270	0.000	1	121.0182	4.268	13	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){2|Br<1>,1|H<1>,2|C<3>,3|C<4>}	121.3375	0.108	2	121.3375	0.012	2	121.5084	0.049	11	121.0182	4.268	13	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	121.7310	0.000	1	121.7310	0.000	1	121.5084	0.049	11	121.0182	4.268	13	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	121.6660	0.226	2	121.6660	0.051	2	121.5084	0.049	11	121.0182	4.268	13	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	121.5825	0.170	2	121.5825	0.029	2	121.5084	0.049	11	121.0182	4.268	13	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	121.5460	0.000	1	121.4007	0.099	3	121.5084	0.049	11	121.0182	4.268	13	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	121.0400	0.000	1	121.4007	0.099	3	121.5084	0.049	11	121.0182	4.268	13	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	121.6160	0.000	1	121.4007	0.099	3	121.5084	0.049	11	121.0182	4.268	13	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	121.4870	0.000	1	121.4870	0.000	1	121.5084	0.049	11	121.0182	4.268	13	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	122.4170	0.000	1	122.4170	0.000	1	122.4170	0.000	1	121.0182	4.268	13	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,2|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	119.4080	0.000	1	119.4080	0.000	1	119.5655	0.050	2	120.7720	2.239	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	119.7230	0.000	1	119.7230	0.000	1	119.5655	0.050	2	120.7720	2.239	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	122.6280	0.000	1	122.6280	0.000	1	121.9785	0.844	2	120.7720	2.239	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	121.3290	0.000	1	121.3290	0.000	1	121.9785	0.844	2	120.7720	2.239	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,3|C<4>,3|O<2>}	118.8060	0.274	2	118.8060	0.075	2	118.8060	0.075	2	118.8060	0.075	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	119.0800	5.583	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC){1|C<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	116.5570	0.000	1	116.5570	0.000	1	117.9995	4.162	2	119.0800	5.583	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]C)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4420	0.000	1	119.4420	0.000	1	117.9995	4.162	2	119.0800	5.583	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,5]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.9250	0.000	1	118.9250	0.000	1	118.9250	0.000	1	120.8483	1.270	11	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH){1|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.4300	0.000	1	121.4300	0.000	1	121.4300	0.000	1	120.8483	1.270	11	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.6500	0.000	1	120.6500	0.000	1	120.4398	0.565	6	120.8483	1.270	11	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|O<2>}	120.8100	0.103	2	120.8100	0.011	2	120.4398	0.565	6	120.8483	1.270	11	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|O<2>}	118.9560	0.000	1	120.1230	1.098	3	120.4398	0.565	6	120.8483	1.270	11	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|O<2>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|O<2>}	120.7065	0.392	2	120.1230	1.098	3	120.4398	0.565	6	120.8483	1.270	11	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:S[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5]C[6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5]C[6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5]){1|C<4>,1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	120.8483	1.270	11	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.9580	0.000	1	121.9580	0.000	1	122.0985	0.039	2	120.8483	1.270	11	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.2390	0.000	1	122.2390	0.000	1	122.0985	0.039	2	120.8483	1.270	11	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	121.2540	0.000	1	121.2540	0.000	1	121.2540	0.000	1	120.6325	0.773	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	120.6325	0.773	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HO){2|C<3>,2|C<4>,2|H<1>}	120.7560	0.000	1	120.7560	0.000	1	120.6910	0.008	2	120.6910	0.008	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5]C[5]HH)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5]C[5]HH)(COO){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|H<1>}	120.6260	0.000	1	120.6260	0.000	1	120.6910	0.008	2	120.6910	0.008	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,4|C<3>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>,4|C<4>}	118.5200	0.000	1	118.5200	0.000	1	118.5200	0.000	1	118.5200	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	117.0510	0.000	1	117.0510	0.000	1	117.0510	0.000	1	117.0510	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3){1|Cl<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	123.5970	0.000	1	123.5970	0.000	1	123.7420	0.042	2	122.3167	2.752	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(CCHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(CCHH){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	123.8870	0.000	1	123.8870	0.000	1	123.7420	0.042	2	122.3167	2.752	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:S-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]C[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]C[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	120.8915	0.298	2	120.8915	0.089	2	120.8915	0.089	2	122.3167	2.752	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	121.4230	0.000	1	121.4230	0.000	1	121.4230	0.000	1	120.9890	0.144	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	120.7720	0.076	2	120.7720	0.006	2	120.7720	0.006	2	120.9890	0.144	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1	116.3970	9.838	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H){1|O<1>,2|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>}	118.5330	0.000	1	118.5330	0.000	1	118.5330	0.000	1	116.3970	9.838	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.8620	0.000	1	117.8620	0.000	1	117.8620	0.000	1	116.3970	9.838	3	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.4035	1.647	2	120.4035	2.712	2	120.4035	2.712	2	120.4035	2.712	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.8705	0.043	2	118.8705	0.002	2	118.8705	0.002	2	119.8503	3.093	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,5,6,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]C)	C[6,6a](C[5,6]C[5,5,6,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	119.1810	0.000	1	119.1810	0.000	1	119.1810	0.000	1	119.8503	3.093	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]CC)(C[6a]C[6a]O)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	119.8503	3.093	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:2:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	122.3425	0.077	2	122.3425	0.006	2	122.3425	0.006	2	122.3425	0.006	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[5,6])	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[5,6]){1|C<4>,3|H<1>,6|C<3>}	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	118.5385	9.302	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H){1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.7050	0.000	1	119.7050	0.000	1	119.7050	0.000	1	118.5385	9.302	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	119.8440	0.000	1	119.8440	0.000	1	119.8440	0.000	1	118.5385	9.302	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1	118.5385	9.302	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	119.6400	0.000	1	119.6400	0.000	1	119.6400	0.000	1	119.6400	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.8970	0.000	1	120.8970	0.000	1	120.8970	0.000	1	119.9226	5.142	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H){1|C<4>,1|N<3>,1|S<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.3790	0.000	1	121.3790	0.000	1	121.6040	0.101	2	119.9226	5.142	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.8290	0.000	1	121.8290	0.000	1	121.6040	0.101	2	119.9226	5.142	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|Ir<6>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	118.9085	3.156	2	119.1997	6.260	6	119.1997	6.260	6	119.9226	5.142	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.7640	0.115	2	119.1997	6.260	6	119.1997	6.260	6	119.9226	5.142	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	117.9265	3.608	2	119.1997	6.260	6	119.1997	6.260	6	119.9226	5.142	9	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.0140	0.000	1	122.0140	0.000	1	122.0140	0.000	1	122.0140	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	117.1720	0.024	2	117.1720	0.001	2	118.0573	3.185	6	118.0357	2.657	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){4|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,5|C<3>}	116.9145	0.573	2	116.9145	0.329	2	118.0573	3.185	6	118.0357	2.657	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	118.8230	0.000	1	118.8230	0.000	1	118.0573	3.185	6	118.0357	2.657	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,4|C<3>,7|H<1>}	121.3480	0.000	1	121.3480	0.000	1	118.0573	3.185	6	118.0357	2.657	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	117.9060	0.000	1	117.9060	0.000	1	117.9060	0.000	1	118.0357	2.657	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6]){1|O<2>,3|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.0053	2.376	4	119.0053	5.644	4	119.0053	5.644	4	119.0053	5.644	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.4710	0.000	1	119.8823	0.129	3	119.8823	0.129	3	119.7661	0.365	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.0880	0.059	2	119.8823	0.129	3	119.8823	0.129	3	119.7661	0.365	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi){2|C<4>,2|O<2>,3|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){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	119.0210	0.199	2	119.0210	0.040	2	119.0210	0.040	2	119.7661	0.365	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.5470	0.000	1	120.3370	0.088	2	120.3370	0.088	2	119.7661	0.365	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.1270	0.000	1	120.3370	0.088	2	120.3370	0.088	2	119.7661	0.365	7	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[6a]-2:	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(N[6a]C[6a])	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){11|C<3>,1|N<2>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(N[6a]C[6a]){1|B<4>,3|H<1>,5|C<3>}	121.3600	0.000	1	121.3600	0.000	1	121.3600	0.000	1	121.3600	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){12|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H){1|B<4>,3|H<1>,5|C<3>}	120.2620	1.075	2	120.2620	1.155	2	120.2620	1.155	2	120.2502	0.392	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<2>,2|N<3>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|O<2>,4|C<3>}	120.2385	0.146	2	120.2385	0.021	2	120.2385	0.021	2	120.2502	0.392	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){1|C<2>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	117.8955	1.860	2	117.8955	3.461	2	116.5842	3.543	4	116.5842	3.543	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	115.2730	0.539	2	115.2730	0.290	2	116.5842	3.543	4	116.5842	3.543	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.1755	0.787	4	120.1755	0.620	4	120.1755	0.620	4	120.1755	0.620	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:2:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[3x5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a](C[5,6]C[3x5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6]C[5,5,6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[3x5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H){1|O<1>,2|H<1>,2|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6]C[5,5,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.8860	0.000	1	116.8860	0.000	1	116.8860	0.000	1	116.8860	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[3x5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[3x5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[3x5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.8285	0.008	2	121.8285	0.000	2	121.8285	0.000	2	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	120.9480	0.000	1	121.0030	0.006	2	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	121.0580	0.000	1	121.0030	0.006	2	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	117.9400	0.000	1	117.9400	0.000	1	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	120.2370	0.068	2	120.4340	0.060	4	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	120.5340	0.000	1	120.4340	0.060	4	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	120.7280	0.000	1	120.4340	0.060	4	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.7000	0.000	1	117.8250	0.031	2	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	117.9500	0.000	1	117.8250	0.031	2	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.0960	0.000	1	120.0960	0.000	1	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.0665	0.288	2	120.0665	0.083	2	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	120.1870	0.000	1	120.6285	0.390	2	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	121.0700	0.000	1	120.6285	0.390	2	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	120.4625	0.111	2	120.2183	0.185	3	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	119.7300	0.000	1	120.2183	0.185	3	119.9690	1.154	17	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[5,5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6]N[5,5,6]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[5,6]N[5,5,6]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	120.2820	0.000	1	120.2820	0.000	1	120.2820	0.000	1	120.1706	1.298	20	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	120.6775	0.187	2	120.6775	0.035	2	120.6775	0.035	2	121.2770	0.501	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	121.7530	0.000	1	121.7530	0.000	1	121.8765	0.031	2	121.2770	0.501	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	122.0000	0.000	1	122.0000	0.000	1	121.8765	0.031	2	121.2770	0.501	4	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O){2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	122.5105	0.078	2	122.5105	0.006	2	122.5105	0.006	2	122.5105	0.006	2	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<4>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.9450	0.000	1	122.9450	0.000	1	122.9450	0.000	1	122.9450	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479
643	474	643	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:4:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,5,6]-4:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6]C[3,5,6]C[5,5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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[6,6a]C[6,6a]C[6a])(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[3,5,6]C[5,5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|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[6,6a]C[6,6a]C[6a])(OH){1|C<4>,1|O<1>,2|H<1>,7|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>}	118.9990	0.000	1	118.9990	0.000	1	118.9990	0.000	1	118.9990	0.000	1	120.5876	4.161	1118	120.1489	7.228	1479