643	474	727	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:4:	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[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	121.7020	0.000	1	121.7020	0.000	1	121.7020	0.000	1	121.7020	0.000	1	121.9272	5.893	5	122.4045	6.652	17
643	474	727	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:4:	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[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	123.0810	0.000	1	123.0810	0.000	1	123.0810	0.000	1	123.0810	0.000	1	121.9272	5.893	5	122.4045	6.652	17
643	474	727	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[5,6a]	4:3:3:	4:3:4:4:	3:3:4:	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[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	123.5275	0.128	2	123.5275	0.016	2	123.5275	0.016	2	123.5275	0.016	2	121.9272	5.893	5	122.4045	6.652	17
643	474	727	0:SP2_SP2_SP3	C[6a]	C[5,6]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:4:	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[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6]C[6a])(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6]C[6a])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	117.7980	0.000	1	117.7980	0.000	1	117.7980	0.000	1	117.7980	0.000	1	121.9272	5.893	5	122.4045	6.652	17
643	474	727	0:SP2_SP2_SP3	C[6a]	C[5]	C[5,6a]	3:4:2:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2H)(O[6a]C[6a])	C[5](C[6a]C[5,6a]O[6a])(C[5]C[5]HH)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]O[6a]C[5])(C[5]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2H)(O[6a]C[6a]){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[6a]C[5,6a]O[6a])(C[5]C[5]HH)2(H){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]O[6a]C[5])(C[5]C[5,6a]O){2|C<4>,2|H<1>,3|C<3>}	127.7660	0.000	1	127.7660	0.000	1	127.7660	0.000	1	127.7660	0.000	1	123.0408	10.675	5	122.4045	6.652	17
643	474	727	0:SP2_SP2_SP3	C[6a]	C[5]	C[5,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[5])(C[5]C[5,6a]O)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[5])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	125.1270	0.000	1	125.1270	0.000	1	125.1270	0.000	1	125.1270	0.000	1	123.0408	10.675	5	122.4045	6.652	17
643	474	727	0:SP2_SP2_SP3	C[6a]	C[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C[5])(N[5]C[5]Pd)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C[5])(N[5]C[5]Pd){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	120.7703	0.526	3	120.7703	0.277	3	120.7703	0.277	3	120.7703	0.277	3	123.0408	10.675	5	122.4045	6.652	17
643	474	727	0:SP2_SP2_SP3	C[6a]	C[5]	C[5a,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-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]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[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]C)	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[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]C){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	120.0085	0.223	2	120.0085	0.050	2	120.0085	0.050	2	120.0085	0.050	2	122.2909	6.152	7	122.4045	6.652	17
643	474	727	0:SP2_SP2_SP3	C[6a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a])	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a]){2|H<1>,7|C<3>}	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.7220	0.000	1	123.7220	0.000	1	123.7220	0.000	1	123.7220	0.000	1	122.2909	6.152	7	122.4045	6.652	17
643	474	727	0:SP2_SP2_SP3	C[6a]	C[5]	C[5a,6a]	3:4:2:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a])	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	125.2710	0.000	1	125.2710	0.000	1	125.2710	0.000	1	125.2710	0.000	1	122.2909	6.152	7	122.4045	6.652	17
643	474	727	0:SP2_SP2_SP3	C[6a]	C[5]	C[5a,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	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[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]H)	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[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	122.2060	0.000	1	122.2060	0.000	1	122.2060	0.000	1	122.2060	0.000	1	122.2909	6.152	7	122.4045	6.652	17
643	474	727	0:SP2_SP2_SP3	C[6a]	C[5]	C[5a,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[3,5]-4:C[5]-4:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	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[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	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[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	125.1920	0.000	1	125.1920	0.000	1	125.1920	0.000	1	125.1920	0.000	1	122.2909	6.152	7	122.4045	6.652	17
643	474	727	0:SP2_SP2_SP3	C[6a]	C[5]	C[5a,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	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[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[5])	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[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[5]){1|H<1>,2|O<2>,6|C<3>}	119.6280	0.000	1	119.6280	0.000	1	119.6280	0.000	1	119.6280	0.000	1	122.2909	6.152	7	122.4045	6.652	17
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	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[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-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[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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]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>,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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	116.4340	0.000	1	116.4340	0.000	1	116.4917	0.073	3	116.4917	0.073	3	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	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[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-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[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[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[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[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[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	116.5205	0.375	2	116.5205	0.141	2	116.4917	0.073	3	116.4917	0.073	3	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:1:	4:3:3:	C[5,6,6a]-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:Cl-1:	C[5,5,6]-4:C[5,5,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(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]2)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6a]C[5,6a,6a]C[5,5,6])(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[5,6,6a]C[5,5,6a]C[5,5,6])(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]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,7|C<3>}	119.2080	0.000	1	119.2080	0.000	1	119.2080	0.000	1	118.3258	3.963	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:1:	4:3:3:	C[5,6,6a]-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:Cl-1:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6a,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]2)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]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[5,5,6])(C[5,6,6a]C[5,6a,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]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	121.2395	0.609	2	121.2395	0.371	2	120.5413	1.648	3	118.3258	3.963	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:1:	4:3:3:	C[5,6,6a]-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:Cl-1:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])2(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[5,6,6a]2)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]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[5,5,6])2(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])2(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	119.1450	0.000	1	119.1450	0.000	1	120.5413	1.648	3	118.3258	3.963	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:1:	4:3:3:	C[5,6,6a]-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:Cl-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6a,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]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,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[5,5,6])(C[5,6,6a]C[5,6a,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]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	118.7080	0.110	2	118.7080	0.012	2	118.7080	0.012	2	118.3258	3.963	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:1:	4:3:3:	C[5,6,6a]-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:Cl-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(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]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(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[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(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]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(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>,7|C<3>}	119.5570	0.000	1	119.5570	0.000	1	119.5570	0.000	1	118.3258	3.963	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[5,6a,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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	115.5580	0.000	1	115.5580	0.000	1	115.5580	0.000	1	118.3258	3.963	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[5,6a,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[5,6,6a]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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	116.6365	1.140	4	116.6365	1.299	4	116.6365	1.299	4	118.3258	3.963	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[6,6,6a]-3:C[5,6,6]-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[5,6,6a]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[5,6,6a](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[5,6,6]C[3x6]C)	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[5,6,6a](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[5,6,6]C[3x6]C){4|C<4>,5|C<3>}	116.7610	0.000	1	116.7610	0.000	1	116.7610	0.000	1	116.7610	0.000	1	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[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[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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]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[5,6,6a]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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	116.2560	0.000	1	116.2560	0.000	1	116.0352	0.960	6	116.5532	1.539	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[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[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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	117.5670	0.000	1	117.5670	0.000	1	116.0352	0.960	6	116.5532	1.539	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[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[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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]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]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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	115.5970	0.739	4	115.5970	0.546	4	116.0352	0.960	6	116.5532	1.539	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[6,6,6a]-3:C[5,6,6a]-3:C-4:	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[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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]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[5,6,6a]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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	116.8400	0.000	1	116.8400	0.000	1	116.4140	0.363	2	116.5532	1.539	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[6,6,6a]-3:C[5,6,6a]-3:C-4:	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[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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]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]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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	115.9880	0.000	1	115.9880	0.000	1	116.4140	0.363	2	116.5532	1.539	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[6,6,6a]-3:C[5,6,6]-4:C[5,6a,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[5,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2)	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[5,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	116.6080	0.000	1	116.6080	0.000	1	116.6080	0.000	1	116.5532	1.539	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:4:3:	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[5,6,6a]-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[5,6,6a]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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]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[5,6,6a]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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	115.6030	0.000	1	115.6030	0.000	1	115.6030	0.000	1	116.5532	1.539	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	3:4:3:	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[5,6,6]-4:C[6,6,6a]-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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])	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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	118.6940	0.211	2	118.6940	0.044	2	118.6940	0.044	2	116.5532	1.539	12	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[5,6,6a](C[5,6,6]C[6,6,6a]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[5,6,6a]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[5,6,6a](C[5,6,6]C[6,6,6a]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]){4|C<4>,5|C<3>}	117.1590	0.000	1	117.1590	0.000	1	116.6167	0.280	3	117.0271	0.419	20	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]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[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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	116.1010	0.000	1	116.1010	0.000	1	116.6167	0.280	3	117.0271	0.419	20	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[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[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]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[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	116.5900	0.000	1	116.5900	0.000	1	116.6167	0.280	3	117.0271	0.419	20	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[6,6,6a]-3:C[5,6,6a]-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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(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[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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	117.2650	0.062	2	117.2650	0.004	2	117.2650	0.004	2	117.0271	0.419	20	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[6,6,6a]-3:C[5,6a,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[5,6,6a]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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	116.7759	0.332	7	116.7759	0.110	7	116.7759	0.110	7	117.0271	0.419	20	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[5,6a,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]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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]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]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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	116.2600	0.000	1	116.2600	0.000	1	116.2600	0.000	1	117.0271	0.419	20	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[5,6,6a]-3:C-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,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[5,6,6a]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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	116.7313	0.184	3	116.7313	0.034	3	116.7313	0.034	3	117.0271	0.419	20	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	4:3:3:	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[5,6,6]-4: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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	118.2345	0.412	2	118.2345	0.170	2	118.0393	0.199	3	117.0271	0.419	20	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	4:3:3:	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[5,6,6]-4: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])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,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])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	117.6490	0.000	1	117.6490	0.000	1	118.0393	0.199	3	117.0271	0.419	20	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:3:4:	3:3:3:4:	4:3:3:	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[5,6,6]-4: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]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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,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]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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	117.0271	0.419	20	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[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[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[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,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[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:3:4:	4:4:3:1:	3:4:3:	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[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[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[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[5,6,6])	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[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[5,6,6]){4|Cl<1>,4|C<3>,4|C<4>}	117.7050	0.000	1	117.7050	0.000	1	117.7050	0.000	1	117.7050	0.000	1	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:1:	4:3:3:	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[5,6,6]-4: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[5,6,6a](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[5,6a,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[5,6,6a](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[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:4:	3:3:3:	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[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-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)	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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]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[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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	116.8910	0.000	1	116.8910	0.000	1	116.8910	0.000	1	116.8910	0.000	1	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]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[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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	117.2790	0.000	1	117.2790	0.000	1	117.2790	0.000	1	117.2790	0.000	1	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:3:4:	4:3:3:	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[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	116.0590	0.000	1	116.0590	0.000	1	116.0590	0.000	1	116.0590	0.000	1	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	3:4:3:	3:3:4:1:	4:3:3:	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[5,6,6]-4: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[5,6,6a](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[5,6a,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[5,6,6a](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[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	121.4460	0.000	1	121.4460	0.000	1	121.4460	0.000	1	121.4460	0.000	1	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	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[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]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[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6a,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]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[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	116.5280	0.008	2	116.5280	0.000	2	116.5280	0.000	2	116.5280	0.000	2	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[5,6,6a](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[5,6,6]C[3x6]C)	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[5,6,6a](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[5,6,6]C[3x6]C){4|C<4>,5|C<3>}	116.9100	0.000	1	116.9100	0.000	1	116.9100	0.000	1	116.9100	0.000	1	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[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[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[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]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[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	116.9580	0.000	1	116.9580	0.000	1	116.9580	0.000	1	116.9040	0.006	2	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	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[5,6,6a]-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[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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(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[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[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	116.8500	0.000	1	116.8500	0.000	1	116.8500	0.000	1	116.9040	0.006	2	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:4:3:1:	3:4:3:	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[5,6a,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[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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]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[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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	115.8125	0.424	2	115.8125	0.179	2	115.8125	0.179	2	115.8125	0.179	2	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5,6,6a]	4:3:3:	3:4:4:1:	3:3:4:	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[5,6,6]-4:	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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,3|C<4>,5|C<3>}	120.2190	0.000	1	120.2190	0.000	1	120.2190	0.000	1	120.2190	0.000	1	117.2724	2.121	63	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6,6a]	C[5,6,6]	C[5a,6,6a]	3:4:3:	4:3:3:1:	3:3:3:	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[5a,6a,6a]-3:C[5a,6,6a]-3:C[6,6,6a]-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])	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[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	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[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	116.5730	0.000	1	116.5730	0.000	1	116.5730	0.000	1	116.5730	0.000	1	116.5730	0.000	1	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[5,6,6a]	3:4:3:	3:3:4:3:	3:3:4:	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[5,6a]-3:C[5,6]-4:	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[5,6,6a](C[6,6a]C[5,6]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[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[5,6,6a](C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	120.1945	0.641	2	120.1945	0.411	2	120.1945	0.411	2	120.1945	0.411	2	119.6260	1.175	3	117.3674	2.278	67
643	474	727	6:SP2_SP2_SP3	C[6,6a]	C[5,6]	C[5,6,6a]	3:4:3:	3:4:2:2:	4:3:3:	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[3,5,6]-4:C[6,6a]-3:C[5,6a]-3:	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[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5])	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[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	118.4890	0.000	1	118.4890	0.000	1	118.4890	0.000	1	118.4890	0.000	1	119.6260	1.175	3	117.3674	2.278	67
643	474	769	0:SP2_SP2_SP3	C[6a]	C[5]	C[4,6a]	3:3:4:	3:2:2:4:	3:3:4:	C[4,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[5]O[5]2C)	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]C[5])(C[4]C[4]CO)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3){1|C<4>,2|C<3>,5|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]C[5])(C[4]C[4]CO){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	121.7870	0.000	1	121.7870	0.000	1	121.7870	0.000	1	121.7870	0.000	1	121.7870	0.000	1	121.7870	0.000	1
643	474	933	0:SP2_SP2_SP3	C[6,6a]	C[5,6]	O[6a]	3:4:2:	3:4:4:2:	3:3:	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[6,6a]-3:C[6a]-3:	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])	O[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]O)	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>}	O[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]O){1|O<2>,2|C<3>,3|C<4>}	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	110.7185	9.879	2
643	474	933	0:SP2_SP2_SP3	C[6a]	C[5]	O[6a]	3:4:2:	3:4:4:1:	3:3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2H)(O[6a]C[6a])	C[5](C[6a]C[5,6a]O[6a])(C[5]C[5]HH)2(H)	O[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2H)(O[6a]C[6a]){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[6a]C[5,6a]O[6a])(C[5]C[5]HH)2(H){3|C<3>,4|H<1>}	O[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	112.9410	0.000	1	112.9410	0.000	1	112.9410	0.000	1	112.9410	0.000	1	112.9410	0.000	1	110.7185	9.879	2
643	478	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4,3x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[4,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[4,6]-4:C[6]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[4,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[4,3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6,6a]N[6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,7|H<1>}	C[4,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,3x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	123.6030	0.000	1	123.6030	0.000	1	123.6030	0.000	1	123.6030	0.000	1	123.6030	0.000	1	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4,4,6,6]	C[6a]	3:4:3:	4:4:3:1:	3:3:1:	C[3x6,6a]-3:C[4,4,6,6]-4:C[6a]-3:	C[3x4,6]-4:C[3x4,6]-4:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[3x6,6a]C[6,6a]N[3x6])(C[4,4,6,6]C[3x4,6]2H)(C[6a]C[6a,6a]H)	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(C[6,6,6a]C[3x6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[4,4,6,6]C[3x6,6a])(C[6a,6a]C[6a,6a]C[5,6a])(H)	C[6,6,6a](C[3x6,6a]C[6,6a]N[3x6])(C[4,4,6,6]C[3x4,6]2H)(C[6a]C[6a,6a]H){1|C<5>,1|H<2>,2|C<3>,2|C<4>,2|H<1>}	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(C[6,6,6a]C[3x6,6a]C[6a])(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[4,4,6,6]C[3x6,6a])(C[6a,6a]C[6a,6a]C[5,6a])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	120.3440	0.000	1	120.3440	0.000	1	120.3440	0.000	1	120.3440	0.000	1	120.3440	0.000	1	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6a]	3:4:3:	3:4:4:1:	3:2:1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	125.3283	0.612	12	125.3283	0.374	12	125.3283	0.374	12	125.3283	0.374	12	125.4157	0.535	26	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(C[6a]C[6a]Cl)(H)	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(C[6a]C[6a]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	123.3740	0.000	1	123.3740	0.000	1	125.4906	0.699	14	125.4906	0.699	14	125.4157	0.535	26	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]HH)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]HH)2(H){1|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.8010	0.000	1	124.8010	0.000	1	125.4906	0.699	14	125.4906	0.699	14	125.4157	0.535	26	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	126.0032	0.483	6	125.7245	0.316	12	125.4906	0.699	14	125.4906	0.699	14	125.4157	0.535	26	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	125.5006	0.567	5	125.7245	0.316	12	125.4906	0.699	14	125.4906	0.699	14	125.4157	0.535	26	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<4>}	125.1720	0.000	1	125.7245	0.316	12	125.4906	0.699	14	125.4906	0.699	14	125.4157	0.535	26	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,3x6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[4,3x6]-4:C[6,6a]-3:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,3x6]C[4,6,6]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,3x6](C[4,6,6]C[4,3x6]C[6,6a]H)2(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O)	C[6a](C[6,6a]C[4,3x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[4,3x6]C[4,6,6]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[4,3x6](C[4,6,6]C[4,3x6]C[6,6a]H)2(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6,6a]C[4,3x6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.2060	0.165	2	121.2060	0.027	2	121.2060	0.027	2	121.2060	0.027	2	121.2060	0.027	2	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,5,5,6,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[4,5,5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,5,6,6]-4:C[3x5,6]-4:C[4,5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,5,5,6,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,5,5,6,6](C[4,5,5,6,6]C[3x5,6]C[4,5,6]C[6,6a])(C[3x5,6]C[5,5,6,6]C[5,5]C[6a])(C[4,5,6]C[4,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[4,5,5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[4,5,5,6,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,6|C<3>}	C[4,5,5,6,6](C[4,5,5,6,6]C[3x5,6]C[4,5,6]C[6,6a])(C[3x5,6]C[5,5,6,6]C[5,5]C[6a])(C[4,5,6]C[4,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|O<1>,3|H<1>,8|C<3>}	C[6a](C[6,6a]C[4,5,5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	119.6105	0.078	2	119.6105	0.006	2	119.6105	0.006	2	119.6105	0.006	2	119.6105	0.006	2	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,5]-4:C[5,6]-3:C[4]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,5,6]C[4,5]C[5,6]C[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,5,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4]C[5]H)(C[5,6]C[6]N[5])(C[4]C[4]HH)	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[4,5,6]C[4,5]C[5,6]C[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[4,5,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4]C[5]H)(C[5,6]C[6]N[5])(C[4]C[4]HH){4|C<3>,6|H<1>}	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.8850	0.000	1	121.8850	0.000	1	121.8850	0.000	1	121.8850	0.000	1	120.1393	0.972	8	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,5]-4:C[4,6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,5,6]C[4,5]C[4,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,5,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]C)(O[5]C[5])	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[4,5,6]C[4,5]C[4,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[4,5,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]C)(O[5]C[5]){3|C<3>,8|H<1>}	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.5310	0.000	1	120.5310	0.000	1	120.5310	0.000	1	120.5310	0.000	1	120.1393	0.972	8	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:O[5]-2:C[4]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,5,6]C[4,5,6]C[4]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(C[4]C[4]CC)	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[4,5,6]C[4,5,6]C[4]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(C[4]C[4]CC){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.3210	0.000	1	120.3210	0.000	1	120.3210	0.000	1	120.3210	0.000	1	120.1393	0.972	8	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[4]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,5,6]C[4,5,6]C[5,6a]C[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CC)	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[4,5,6]C[4,5,6]C[5,6a]C[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,6|C<3>}	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CC){4|H<1>,7|C<3>}	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.0930	0.000	1	120.0930	0.000	1	120.1993	0.009	3	120.1993	0.009	3	120.1393	0.972	8	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[4]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,5,6]C[4,5,6]C[5,6a]C[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[4,5,6]C[4,5,6]C[5,6a]C[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.2700	0.000	1	120.2700	0.000	1	120.1993	0.009	3	120.1993	0.009	3	120.1393	0.972	8	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[4]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,5,6]C[4,5,6]C[5,6a]C[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6]C[6,6a]C[4]O[5])(C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[4,5,6]C[4,5,6]C[5,6a]C[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[4,5,6](C[4,5,6]C[6,6a]C[4]O[5])(C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.2350	0.000	1	120.2350	0.000	1	120.1993	0.009	3	120.1993	0.009	3	120.1393	0.972	8	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[4,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6]C[6,6a]C[4,6]C[5])(C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[4,5,6](C[4,5,6]C[6,6a]C[4,6]C[5])(C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[4,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.8895	0.646	2	118.8895	0.417	2	118.8895	0.417	2	118.8895	0.417	2	120.1393	0.972	8	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6,6]	C[6a]	3:4:3:	4:4:3:1:	3:3:1:	C[6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[4,3x6]-4:C[4,3x6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6,6]C[4,3x6]2H)(C[6a]C[6a]H)	C[4,6,6](C[4,3x6]C[4,6,6]C[6,6a]C[6,6])2(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6,6]C[4,3x6]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[4,6,6](C[4,3x6]C[4,6,6]C[6,6a]C[6,6])2(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|H<1>,2|O<1>,7|C<3>}	C[6a](C[6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.1685	0.094	2	119.1685	0.009	2	119.1685	0.009	2	119.1685	0.009	2	119.1685	0.009	2	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[4,6]-4:	C[6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)	C[4,6](C[6,6a]C[6a,6a]C[6,6a])(C[4,6]C[4,6]C[6a]O[6])(C[4,6]C[4,6]C[6]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[4,6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6a,6a]C[6,6a])(C[4,6]C[4,6]C[6a]O[6])(C[4,6]C[4,6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[4,6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.4090	0.000	1	120.4090	0.000	1	120.4090	0.000	1	120.4090	0.000	1	120.4090	0.000	1	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	3:4:2:4:	3:3:1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:O[4]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]O[4]C)(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]H)(O[4]C[4])(CF3)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]O[4]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]H)(O[4]C[4])(CF3){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.1540	0.000	1	119.1540	0.000	1	119.1540	0.000	1	119.1540	0.000	1	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,5]-4:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[4,6]C[4,5]C[4,6]H)(C[6a]C[6a]H)	C[4,6](C[6,6a]C[5,6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(H)	C[6a](C[6,6a]C[5,6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[4,6]C[4,5]C[4,6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[4,6](C[6,6a]C[5,6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[4,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.0188	0.267	5	126.0188	0.071	5	126.0188	0.071	5	122.6361	6.661	16	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]C)2(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]C)2(H){2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2522	0.748	6	121.2522	0.560	6	121.6191	0.864	8	122.6361	6.661	16	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)2(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)2(H){2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	122.7200	0.130	2	122.7200	0.017	2	121.6191	0.864	8	122.6361	6.661	16	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]H)(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3400	0.181	2	120.3400	0.033	2	119.7103	1.206	3	122.6361	6.661	16	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]H)(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]O[4]C)(C[4]O[4]CC)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]O[4]C)(C[4]O[4]CC)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.4510	0.000	1	118.4510	0.000	1	119.7103	1.206	3	122.6361	6.661	16	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:O-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]O)(C[6a]C[6,6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]H)(C[4]C[4]CH)(OH)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]O)(C[6a]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]H)(C[4]C[4]CH)(OH){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6,6a]C[6,6a]2)(H){1|O<2>,3|C<4>,4|C<3>}	117.7115	0.889	2	117.7115	0.790	2	117.7115	0.790	2	117.7115	0.790	2	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4]-4:C[4]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[4,6]C[4]2C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[4,6]C[4]2C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,9|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.0900	0.000	1	120.0900	0.000	1	120.0925	0.000	2	120.0925	0.000	2	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4]-4:C[4]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[4,6]C[4]2C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)(C[4]C[4]HN)(C[6]C[6]FH)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[4,6]C[4]2C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|F<1>,1|N<3>,2|C<4>,7|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)(C[4]C[4]HN)(C[6]C[6]FH){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.0950	0.000	1	120.0950	0.000	1	120.0925	0.000	2	120.0925	0.000	2	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.0875	1.002	2	122.0875	1.004	2	121.5830	1.912	10	121.1431	2.622	12	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.6135	0.261	4	122.6135	0.068	4	121.5830	1.912	10	121.1431	2.622	12	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	120.3003	1.246	4	120.3003	1.553	4	121.5830	1.912	10	121.1431	2.622	12	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]O)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]O){2|H<1>,3|C<3>,4|C<4>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(O){1|H<1>,1|O<2>,4|C<4>}	118.9435	0.153	2	118.9435	0.024	2	118.9435	0.024	2	121.1431	2.622	12	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[4]-4:C[4]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4]C[6a]N[4]H)(C[4]N[4]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4]C[6a]N[4]H)(C[4]N[4]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.1225	0.467	2	122.7188	0.658	18	122.7188	0.658	18	122.7188	0.658	18	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[4]-4:C[4]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4]C[6a]N[4]H)(C[4]N[4]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4]C[6a]N[4]H)(C[4]N[4]O){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.4910	0.088	2	122.7188	0.658	18	122.7188	0.658	18	122.7188	0.658	18	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[4]-4:C[4]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4]C[6a]N[4]H)(C[4]N[4]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4]C[6a]N[4]H)(C[4]N[4]O){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.6937	0.899	14	122.7188	0.658	18	122.7188	0.658	18	122.7188	0.658	18	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[4,6]-4:C[4]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[6,6a]C[4,6]C[4])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4,6]C[6,6a]2C[4])(C[4]C[4]HH)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[6,6a]C[4,6]C[4])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<4>,4|H<1>,5|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4,6]C[6,6a]2C[4])(C[4]C[4]HH){1|C<4>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	124.6440	0.153	4	124.6440	0.023	4	124.6440	0.023	4	124.0236	1.942	5	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[4,6]-3:C[4]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]N[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(N[4,6]C[4]C[6])(C[4]C[4]HH)(CF3)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[4,6]N[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(N[4,6]C[4]C[6])(C[4]C[4]HH)(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	121.5420	0.000	1	121.5420	0.000	1	121.5420	0.000	1	124.0236	1.942	5	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,5]-4:O[4]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,5]C[6]O[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,5]C[6]O[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(C[6]N[6]O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.7418	0.265	5	121.7418	0.070	5	121.7418	0.070	5	121.7418	0.070	5	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6]N[4]H)(C[4]N[4]O)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6]N[4]H)(C[4]N[4]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5090	1.236	2	121.5090	1.528	2	121.5090	1.528	2	120.7865	1.503	4	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:N[4]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]N[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]N[6]H)(N[4]C[4]H)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]N[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,6|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]N[6]H)(N[4]C[4]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7320	0.000	1	120.7320	0.000	1	120.7320	0.000	1	120.7865	1.503	4	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4]-4:N[4,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]N[4,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[6a]C[4]C)(N[4,6]C[4]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]N[4,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[6a]C[4]C)(N[4,6]C[4]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3960	0.000	1	119.3960	0.000	1	119.3960	0.000	1	120.7865	1.503	4	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,5]-4:C[6]-3:O[4]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,5]C[6]O[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]H)(C[6]C[6,6a]O)(O[4]C[4,5])	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,5]C[6]O[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]H)(C[6]C[6,6a]O)(O[4]C[4,5]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.7830	0.000	1	120.7830	0.000	1	120.7830	0.000	1	120.7830	0.000	1	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[6a]-3:C[4]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[6a]C[4])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[6a]C[6a]2)(C[4]C[4]C)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[6a]C[4])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[6a]C[6a]2)(C[4]C[4]C){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.6125	0.006	2	120.6125	0.000	2	120.6125	0.000	2	120.6125	0.000	2	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,5]-4:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,5]C[4,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]O)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]I)(H)	C[6,6a](C[4,6]C[4,5]C[4,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<2>,3|C<3>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]O)(H){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]I)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3970	0.000	1	119.3970	0.000	1	119.3970	0.000	1	121.3340	5.437	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]Cl)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]Cl)(C[4]C[4]CO)(Cl)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]Cl)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]Cl)(C[4]C[4]CO)(Cl){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.5145	0.299	2	123.5145	0.089	2	123.5145	0.089	2	121.3340	5.437	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(H)	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|H<1>,5|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	118.7870	0.000	1	118.7870	0.000	1	119.8767	4.552	3	121.3340	5.437	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6]N[4]H)(C[4]N[4]CH)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6]N[4]H)(C[4]N[4]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.5080	0.000	1	120.4215	7.323	2	119.8767	4.552	3	121.3340	5.437	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6]N[4]H)(C[4]N[4]CH)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6]N[4]H)(C[4]N[4]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.3350	0.000	1	120.4215	7.323	2	119.8767	4.552	3	121.3340	5.437	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:Si[4]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]Si[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]Si[4]C[6]H)(Si[4]Si[4]BrN)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]Si[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|Si<4>,1|N<3>,2|C<3>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]Si[4]C[6]H)(Si[4]Si[4]BrN)(H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	123.2820	0.000	1	123.2820	0.000	1	123.2820	0.000	1	121.3340	5.437	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(OC)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(OC){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.2310	0.000	1	120.2310	0.000	1	120.2310	0.000	1	122.9750	5.674	3	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(O[6]C[6]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	124.1840	0.000	1	124.3470	0.053	2	124.3470	0.053	2	122.9750	5.674	3	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	124.5100	0.000	1	124.3470	0.053	2	124.3470	0.053	2	122.9750	5.674	3	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,4]-4:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[3,4]C[4,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,6]C[4]C[6]C)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[3,4]C[4,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>,5|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,6]C[4]C[6]C)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>,9|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	124.5000	4.903	2	124.5000	24.040	2	122.5070	13.323	4	121.1783	10.163	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,4]-4:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[3,4]C[4,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,6]C[4]C[6]H)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[3,4]C[4,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<4>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,6]C[4]C[6]H)(C[6a]C[6a]2){1|N<3>,5|C<3>,9|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.5140	0.198	2	120.5140	0.039	2	122.5070	13.323	4	121.1783	10.163	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]O)(C[4]C[4]CC)(CN[5]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]O)(C[4]C[4]CC)(CN[5]O){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.1450	0.000	1	121.1450	0.000	1	119.4067	2.267	3	121.1783	10.163	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CC)(CN[5]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>,4|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CC)(CN[5]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.5375	0.025	2	118.5375	0.001	2	119.4067	2.267	3	121.1783	10.163	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CC)(CH3)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>,3|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CC)(CH3){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	121.4550	0.000	1	121.4550	0.000	1	122.2090	2.574	4	122.2090	2.574	4	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CO)(CH3)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CO)(CH3){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	120.3180	0.000	1	120.3180	0.000	1	122.2090	2.574	4	122.2090	2.574	4	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CO)(CCHH)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]C)(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[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CO)(CCHH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	123.3310	0.000	1	123.3310	0.000	1	122.2090	2.574	4	122.2090	2.574	4	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]HO)(CCHH)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]HO)(CCHH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	123.7320	0.000	1	123.7320	0.000	1	122.2090	2.574	4	122.2090	2.574	4	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[6,6a]C[6,6a]C[6a])(C[4]C[6a]C[4])(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[6,6a]C[6,6a]C[6a])(C[4]C[6a]C[4])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[4,5,6]N[5,6]C[4]O[5])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[4,6](C[4,5,6]N[5,6]C[4]O[5])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.6300	0.000	1	119.6300	0.000	1	120.1055	0.452	2	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[4,5,6]N[5,6]C[4]S[5])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[4,6](C[4,5,6]N[5,6]C[4]S[5])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5810	0.000	1	120.5810	0.000	1	120.1055	0.452	2	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8510	0.061	3	120.7491	0.065	11	120.9119	0.126	24	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8425	0.067	4	120.7491	0.065	11	120.9119	0.126	24	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8850	0.065	2	120.7491	0.065	11	120.9119	0.126	24	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.2735	0.267	2	120.7491	0.065	11	120.9119	0.126	24	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	121.0130	0.000	1	121.0130	0.000	1	120.9119	0.126	24	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	121.1740	0.000	1	120.9544	0.177	8	120.9119	0.126	24	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.7310	0.000	1	120.9544	0.177	8	120.9119	0.126	24	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8255	0.569	2	120.9544	0.177	8	120.9119	0.126	24	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.6610	0.122	2	120.9544	0.177	8	120.9119	0.126	24	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8785	0.169	2	120.9544	0.177	8	120.9119	0.126	24	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2O)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2O)(H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2492	0.287	4	121.2492	0.082	4	120.9119	0.126	24	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,5]-4:F-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]F)	C[4,6](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(F)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]F)(F)	C[6,6a](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]F){1|C<3>,1|H<1>,4|C<4>,4|F<1>}	C[4,6](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(F){2|C<4>,2|F<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,3|C<4>}	118.6270	0.000	1	118.6270	0.000	1	118.6270	0.000	1	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[6,6a]C[4,5]C)(C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]O[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,5]C)(C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]O[5]H)(H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.6770	3.005	2	119.6770	9.031	2	119.6770	9.031	2	120.6923	0.734	29	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(OC)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<3>,2|H<1>,4|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.0070	0.000	1	122.0070	0.000	1	121.7258	0.454	4	122.0539	2.196	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	122.4500	0.000	1	122.4500	0.000	1	121.7258	0.454	4	122.0539	2.196	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.2230	0.502	2	121.2230	0.252	2	121.7258	0.454	4	122.0539	2.196	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[4,6]C[4,6,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[4,6]C[4,6,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,6]HH)(H){2|O<2>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.4913	2.325	3	122.4913	5.406	3	122.4913	5.406	3	122.0539	2.196	7	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:4:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	122.5880	0.000	1	122.5880	0.000	1	122.5880	0.000	1	122.5880	0.000	1	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,4,6]-4:C[6,6a]-3:C[4]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[4,4,6]C[3,4]C[4,6]O[4])(C[6,6a]C[6,6a]C[6a])(C[4]O[4]CC)(OH)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[4,6](C[4,4,6]C[3,4]C[4,6]O[4])(C[6,6a]C[6,6a]C[6a])(C[4]O[4]CC)(OH){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.1395	0.162	2	118.1395	0.026	2	118.1395	0.026	2	117.4720	0.645	4	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,5]-4:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,5]C[4,6]C)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[6,6a]C[4,5]H)(C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(CN)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,5]C[4,6]C)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,5]H)(C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(CN){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	116.8045	0.356	2	116.8045	0.127	2	116.8045	0.127	2	117.4720	0.645	4	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,5,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,5,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	118.9950	0.000	1	118.9950	0.000	1	118.9950	0.000	1	118.9950	0.000	1	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,4,6]-4:C[4,5]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,5]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,4,6]C[4,4,5]C[4,4,6]C)(C[4,5]C[4,4,5]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,5]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[4,6](C[4,4,6]C[4,4,5]C[4,4,6]C)(C[4,5]C[4,4,5]O[5]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	122.3000	0.000	1	122.3000	0.000	1	122.5710	0.147	2	119.7392	6.761	5	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,4,6]-4:C[4,5]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,4,6]C[4,5]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,4,6]C[4,4,5]C[4,4,6]H)(C[4,5]C[4,4,5]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,5]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[4,6](C[4,4,6]C[4,4,5]C[4,4,6]H)(C[4,5]C[4,4,5]O[5]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	122.8420	0.000	1	122.8420	0.000	1	122.5710	0.147	2	119.7392	6.761	5	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[4,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4,6]C[4,5,6]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,5,6]C[4,5,6]C[6,6a]C[5])(C[4,6]C[4,5,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6,6a](C[4,6]C[4,5,6]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[4,6](C[4,5,6]C[4,5,6]C[6,6a]C[5])(C[4,6]C[4,5,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.0160	0.047	2	118.0160	0.002	2	118.0160	0.002	2	119.7392	6.761	5	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5]-4:C[4,6]-4:C[6,6a]-3:F-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]F)	C[4,6](C[4,5]C[5,6a]C[4,5]H)(C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[6,6a]C[6a])(F)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]F)(F)	C[6,6a](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]F){1|H<1>,2|C<3>,3|C<4>,4|F<1>}	C[4,6](C[4,5]C[5,6a]C[4,5]H)(C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[6,6a]C[6a])(F){1|H<1>,2|F<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,3|C<4>}	117.5220	0.000	1	117.5220	0.000	1	117.5220	0.000	1	119.7392	6.761	5	121.4126	4.203	137	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a,6a]	4:3:2:	4:4:4:3:	3:3:3:	C[3x4,3x6]-4:C[6a,6a]-3:N[6a]-2:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2C)(C[3x4,3x6]C[3x4,3x6]2H)2(C[6a]C[6a,6a]N[6a])	C[6a,6a](C[6a]C[3x4,3x6]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2C)(C[3x4,3x6]C[3x4,3x6]2H)2(C[6a]C[6a,6a]N[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a]C[3x4,3x6]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	121.4500	0.000	1	121.4500	0.000	1	121.4500	0.000	1	121.4500	0.000	1	121.4500	0.000	1	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x4,3x6]-4:C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2C)(C[3x4,3x6]C[3x4,3x6]2H)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x4,3x6]C[6a])(H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2C)(C[3x4,3x6]C[3x4,3x6]2H)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x4,3x6]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	121.3610	0.000	1	121.3610	0.000	1	121.8600	0.498	2	120.7941	1.261	28	120.7941	1.261	28	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x4,3x6]-4:C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x4,3x6]C[6a])(H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x4,3x6]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	122.3590	0.000	1	122.3590	0.000	1	121.8600	0.498	2	120.7941	1.261	28	120.7941	1.261	28	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x4,3x6]-4:C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2C)(C[3x4,3x6]C[3x4,3x6]2H)2(C[6a]C[6a]2)	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2C)(C[3x4,3x6]C[3x4,3x6]2H)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	119.7470	0.000	1	119.7470	0.000	1	120.7122	1.244	26	120.7941	1.261	28	120.7941	1.261	28	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x4,3x6]-4:C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	118.5860	0.000	1	118.5860	0.000	1	120.7122	1.244	26	120.7941	1.261	28	120.7941	1.261	28	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x4,3x6]-4:C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2C)(C[3x4,3x6]C[3x4,3x6]2H)2(C[6a]C[6a]2)	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2C)(C[3x4,3x6]C[3x4,3x6]2H)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	120.6090	1.076	2	120.8457	0.905	8	120.7122	1.244	26	120.7941	1.261	28	120.7941	1.261	28	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x4,3x6]-4:C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2C)(C[3x4,3x6]C[3x4,3x6]2H)2(C[6a]C[6a]2)	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2C)(C[3x4,3x6]C[3x4,3x6]2H)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.9247	1.003	6	120.8457	0.905	8	120.7122	1.244	26	120.7941	1.261	28	120.7941	1.261	28	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x4,3x6]-4:C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	119.8570	0.288	2	119.8570	0.083	2	120.7122	1.244	26	120.7941	1.261	28	120.7941	1.261	28	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x4,3x6]-4:C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.7060	0.000	1	120.9539	1.376	13	120.7122	1.244	26	120.7941	1.261	28	120.7941	1.261	28	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x4,3x6]-4:C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8354	1.382	8	120.9539	1.376	13	120.7122	1.244	26	120.7941	1.261	28	120.7941	1.261	28	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x4,3x6]-4:C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	121.6485	0.088	2	120.9539	1.376	13	120.7122	1.244	26	120.7941	1.261	28	120.7941	1.261	28	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x4,3x6]-4:C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3575	0.415	2	120.9539	1.376	13	120.7122	1.244	26	120.7941	1.261	28	120.7941	1.261	28	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[3x4,3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x4,3x6]-4:C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2H)3(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[3x4,3x6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	121.3020	0.000	1	121.3020	0.000	1	120.7122	1.244	26	120.7941	1.261	28	120.7941	1.261	28	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,3x5]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[4,3x5]-4:C[6a]-3:C[6a]-3:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:O[4,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]O[4,5])(C[6a]C[6a]H)2	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[4,3x5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]O[4,5])(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]C[4,3x5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3748	2.244	4	120.5288	2.175	12	120.5288	2.175	12	120.5288	2.175	12	120.5288	2.175	12	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,3x5]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[4,3x5]-4:C[6a]-3:C[6a]-3:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:O[4,5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]O[4,5])(C[6a]C[6a]H)2	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[4,3x5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]O[4,5])(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[4,3x5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6059	1.113	8	120.5288	2.175	12	120.5288	2.175	12	120.5288	2.175	12	120.5288	2.175	12	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,4,5,6,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[4,4,5,6,6]-4:C[6a]-3:C[6a]-3:	C[4,5,4x6]-4:C[4,4,3x6]-4:C[4,5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,4,5,6,6]C[4,4,3x6]C[4,5,4x6]C[4,5,5,6])(C[6a]C[6a]H)2	C[4,4,5,6,6](C[4,5,4x6]C[5,5,4x6]C[4,3x6]C[6a])(C[4,4,3x6]C[4,5,4x6]C[4,3x6]H)(C[4,5,5,6]C[4,5,4x6]C[5,5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[4,4,5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,4,5,6,6]C[4,4,3x6]C[4,5,4x6]C[4,5,5,6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>,4|C<4>}	C[4,4,5,6,6](C[4,5,4x6]C[5,5,4x6]C[4,3x6]C[6a])(C[4,4,3x6]C[4,5,4x6]C[4,3x6]H)(C[4,5,5,6]C[4,5,4x6]C[5,5]C)(C[6a]C[6a]2){3|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[4,4,5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1800	0.331	2	121.1800	0.110	2	121.1800	0.110	2	121.1800	0.110	2	121.1800	0.110	2	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,4]	C[6a]	4:3:2:	3:3:3:4:	3:3:1:	C[4,4]-4:C[6a]-3:N[6a]-2:	Ge[4,4]-3:Ge[4,4]-3:C[6a]-3:P[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,4]Ge[4,4]2P[4])(C[6a]C[6a]H)(N[6a]C[6a])	C[4,4](Ge[4,4]C[4,4]N[4])2(C[6a]C[6a]N[6a])(P[4]N[4]CC)	C[6a](C[6a]C[4,4]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,4]Ge[4,4]2P[4])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[4,4](Ge[4,4]C[4,4]N[4])2(C[6a]C[6a]N[6a])(P[4]N[4]CC){2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[4,4]N[6a])(C[6a]C[6a]H)(H){2|Ge<3>,1|C<3>,1|H<1>,1|P<4>}	121.1890	0.491	2	121.1890	0.241	2	121.1890	0.241	2	121.1890	0.241	2	121.0985	2.136	14	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,4]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[4,4]-4:C[6a]-3:C[6a]-3:	C[4,4]-4:C[4,4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,4]C[4,4]2C[4])(C[6a]C[6a]H)2	C[4,4](C[4,4]C[4,4]C[6a]C[4])(C[4,4]C[4,4]C[4]F)(C[4]C[6a]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,4]C[4,4]2C[4])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,2|H<1>,5|C<3>}	C[4,4](C[4,4]C[4,4]C[6a]C[4])(C[4,4]C[4,4]C[4]F)(C[4]C[6a]C[4])(C[6a]C[6a]2){1|F<1>,2|H<1>,9|C<3>}	C[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2854	1.529	8	121.2854	2.338	8	121.2854	2.338	8	121.2854	2.338	8	121.0985	2.136	14	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,4]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[4,4]-4:C[6a]-3:C[6a]-3:	C[4,4]-4:C[4]-4:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,4]C[4,4]C[4]2)(C[6a]C[6a]H)2	C[4,4](C[4,4]C[6a]C[4]2)(C[4]C[4]Cl2)(C[6a]C[6a]2)(C[4]C[4]HH)	C[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,4]C[4,4]C[4]2)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[4,4](C[4,4]C[6a]C[4]2)(C[4]C[4]Cl2)(C[6a]C[6a]2)(C[4]C[4]HH){2|Cl<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.6795	1.841	4	120.6795	3.389	4	120.6795	3.389	4	120.6795	3.389	4	121.0985	2.136	14	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5,4x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[4,5,4x6]-4:C[6a]-3:C[6a]-3:	C[4,4,5,6,6]-4:C[4,3x6]-4:C[5,5,4x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5,4x6]C[4,4,5,6,6]C[5,5,4x6]C[4,3x6])(C[6a]C[6a]H)2	C[4,5,4x6](C[4,4,5,6,6]C[4,4,3x6]C[4,5,5,6]C[6a])(C[4,3x6]C[4,4,3x6]C[6,6]H)(C[5,5,4x6]C[5,5x6]C[5,5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5,4x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5,4x6]C[4,4,5,6,6]C[5,5,4x6]C[4,3x6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>,5|C<4>}	C[4,5,4x6](C[4,4,5,6,6]C[4,4,3x6]C[4,5,5,6]C[6a])(C[4,3x6]C[4,4,3x6]C[6,6]H)(C[5,5,4x6]C[5,5x6]C[5,5]C)(C[6a]C[6a]2){3|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[4,5,4x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2600	0.201	2	121.2600	0.040	2	121.2600	0.040	2	121.2600	0.040	2	121.2600	0.040	2	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5,5,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[4,5,5,6]-4:C[6a]-3:C[6a]-3:	P[4,5,6,6]-4:P[4,5,6,6]-4:C[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5,5,6]P[4,5,6,6]2C[5,5])(C[6a]C[6a]H)2	C[4,5,5,6](P[4,5,6,6]S[5,6,6]S[4,6]S)2(C[5,5]C[5,5,6,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5,5,6]P[4,5,6,6]2C[5,5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|S<1>,3|S<2>,4|H<1>}	C[4,5,5,6](P[4,5,6,6]S[5,6,6]S[4,6]S)2(C[5,5]C[5,5,6,6]HH)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[4,5,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|P<4>}	120.5930	0.843	2	120.5930	0.710	2	120.5930	0.710	2	120.5930	0.710	2	120.5930	0.710	2	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5,6,6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[4,5,6,6]-4:C[6a]-3:C[6a]-3:	C[4,5,5,6]-4:C[5,6,6]-4:O[4,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5,6,6]C[4,5,5,6]C[5,6,6]O[4,6])(C[6a]C[6a]H)2	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HO)(O[4,6]C[4,5,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[4,5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5,6,6]C[4,5,5,6]C[5,6,6]O[4,6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HO)(O[4,6]C[4,5,6,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[4,5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.5175	0.060	2	120.5175	0.004	2	120.5175	0.004	2	120.5175	0.004	2	120.5175	0.004	2	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[4,5,6]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:N[5,6]-3:C[4,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5,6]C[4,5]C[4,6]N[5,6])(C[6a]C[6a]H)2	C[4,5,6](C[4,5]C[5,6a]N[4]C)(N[5,6]C[5,6a]C[6])(C[4,6]C[6]N[4]H)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5,6]C[4,5]C[4,6]N[5,6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[4,5,6](C[4,5]C[5,6a]N[4]C)(N[5,6]C[5,6a]C[6])(C[4,6]C[6]N[4]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1290	1.592	2	121.1290	2.536	2	121.1290	2.536	2	121.1290	2.536	2	121.1290	2.536	2	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a,6a]	3:4:3:	3:4:3:2:	3:3:3:	C[6a,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:C[4,5]-4:N[5]-3:O[4]-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,5]C[4,5]N[5]O[4])(C[6a]C[6a]H)	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4])	C[6a,6a](C[6a]C[4,5]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,5]C[4,5]N[5]O[4])(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a]C[4,5]C[6a])(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>}	125.1770	1.738	3	125.1770	3.021	3	125.1770	3.021	3	125.1770	3.021	3	125.1770	3.021	3	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	3:4:3:	3:4:3:2:	3:3:1:	C[6a,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:C[4,5]-4:N[5]-3:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,5]C[4,5]N[5]O[4])(C[6a]C[6a]H)	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4])	C[6a](C[6a]C[6a,6a]C[4,5])(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,5]C[4,5]N[5]O[4])(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]C[4,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	115.2057	1.632	3	115.2057	2.662	3	115.2057	2.662	3	115.2057	2.662	3	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:2:	4:3:4:2:	3:3:1:	C[4,5]-4:C[6a]-3:N[6a]-2:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[5]O[4])(C[6a]C[6a]H)(N[6a]C[6a])	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[4]C[4])	C[6a](C[6a]C[4,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[5]O[4])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[4]C[4]){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[4,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.2920	0.000	1	122.2920	0.000	1	122.2920	0.000	1	122.2920	0.000	1	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[4,5]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[5,6a]N[4,5]C[4])(C[6a]C[6a]H)2	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]S[5])(C[6a]C[6a]2)(C[4]C[4]HH)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[5,6a]N[4,5]C[4])(C[6a]C[6a]H)2{1|S<4>,4|C<3>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]S[5])(C[6a]C[6a]2)(C[4]C[4]HH){2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2845	1.039	2	120.2845	1.079	2	120.2845	1.079	2	120.2845	1.079	2	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[5,6a]C[4,5]C[4])(C[6a]C[6a]H)2	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]F)(C[6a]C[6a]2)(C[4]C[4]HH)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[5,6a]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,3|C<3>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]F)(C[6a]C[6a]2)(C[4]C[4]HH){1|S<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3445	2.736	2	121.3445	7.485	2	121.3445	7.485	2	121.3445	7.485	2	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[3,4]-4:C[4,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[5,6a]C[3,4]C[4,5])(C[6a]C[6a]H)2	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,5]C[4]N[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[5,6a]C[3,4]C[4,5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,5]C[4]N[5]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,9|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0813	1.151	4	121.1618	1.226	6	121.1618	1.226	6	120.9170	0.838	16	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[3,4]-4:C[4,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[5,6a]C[3,4]C[4,5])(C[6a]C[6a]H)2	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,5]C[4]N[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[5,6a]C[3,4]C[4,5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,5]C[4]N[5]C)(C[6a]C[6a]2){5|C<3>,9|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	121.3230	1.441	2	121.1618	1.226	6	121.1618	1.226	6	120.9170	0.838	16	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)(C[4,5]C[4,5]S[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)(C[4,5]C[4,5]S[5]H)(C[6a]C[6a]2){1|Cl<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0980	0.962	2	121.0980	0.925	2	120.7701	0.651	10	120.9170	0.838	16	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)2(C[6a]C[6a]2){2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6881	0.816	8	120.6881	0.666	8	120.7701	0.651	10	120.9170	0.838	16	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	116.3925	0.706	2	116.3925	0.499	2	119.6674	2.732	17	119.8069	2.325	21	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	117.3110	0.000	1	117.3110	0.000	1	119.6674	2.732	17	119.8069	2.325	21	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[4,5]N[5]H)(C[6a]C[6a]2)(O[4]C[4,5])(O[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[4,5](C[4,5]C[4,5]N[5]H)(C[6a]C[6a]2)(O[4]C[4,5])(O[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6508	1.195	4	120.6508	1.428	4	119.6674	2.732	17	119.8069	2.325	21	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[4,6]N[5]H)(C[6a]C[6a]2)(O[4]C[4,6])(O[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[4,5](C[4,5]C[4,6]N[5]H)(C[6a]C[6a]2)(O[4]C[4,6])(O[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.2865	0.329	2	120.2865	0.108	2	119.6674	2.732	17	119.8069	2.325	21	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.6985	0.850	4	120.6985	0.723	4	119.6674	2.732	17	119.8069	2.325	21	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.5700	0.494	4	119.5700	0.244	4	119.6674	2.732	17	119.8069	2.325	21	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[4]-2:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]O[4]S[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(S[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]O[4]S[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(S[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	120.3970	0.000	1	120.3970	0.000	1	120.0810	0.200	2	119.8069	2.325	21	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[4]-2:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]O[4]S[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(S[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[4,5]C[4,5]O[4]S[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(S[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	119.7650	0.000	1	119.7650	0.000	1	120.0810	0.200	2	119.8069	2.325	21	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[5]-2:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[4]C[4,5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[4]C[4,5]){2|H<1>,6|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7180	0.659	2	120.7180	0.434	2	120.7180	0.434	2	119.8069	2.325	21	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:3:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H)	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	123.7750	0.000	1	123.7750	0.000	1	124.1430	0.636	3	124.1430	0.636	3	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:3:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[5a]N[5a]S[5a])(C[6a]C[6a]O)	C[6a](C[4,5]C[4,5]O[4]O[5])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[5a]N[5a]S[5a])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	124.3270	1.034	2	124.3270	1.069	2	124.1430	0.636	3	124.1430	0.636	3	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5,5]-4:C[6a]-3:C[4]-3:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5,5]C[4]S[5])(C[6a]C[6a]H)2	C[4,5](C[4,5,5]C[5,5]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]H)(S[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5,5]C[4]S[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[4,5](C[4,5,5]C[5,5]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]H)(S[5]C[5]){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.8675	0.660	2	120.8675	0.435	2	120.8675	0.435	2	119.6369	4.607	12	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[4]O[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5,6]C[6a]C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[4]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[4,5](C[4,5]C[5,6]C[6a]C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)(O[5]C[5,6]){2|H<1>,9|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4115	1.669	2	120.4115	2.787	2	120.4115	2.787	2	119.6369	4.607	12	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[4]O[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(O[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[4]O[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[5]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3830	0.117	2	120.3830	0.014	2	120.3830	0.014	2	119.6369	4.607	12	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:N[5]-3:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]N[5]O[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[4,5]C[4,5]N[5]O[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	115.3995	1.372	2	115.3995	1.884	2	115.3995	1.884	2	119.6369	4.607	12	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:N[4]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]N[4]O[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[4]C[5]Cl)(N[4]C[6a]C[4])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]N[4]O[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[4]C[5]Cl)(N[4]C[6a]C[4])(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.3395	0.237	2	120.3800	0.699	4	120.3800	0.699	4	119.6369	4.607	12	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:N[4]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]N[4]O[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[4]C[5]Cl)(N[4]C[6a]C[4])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]N[4]O[5])(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[4]C[5]Cl)(N[4]C[6a]C[4])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4205	1.426	2	120.3800	0.699	4	120.3800	0.699	4	119.6369	4.607	12	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:4:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:N[5]-3:O[4]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[4,5]C[4,5]N[5]O[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[4,5]C[4,5]N[5]O[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.8215	1.111	2	124.8215	1.234	2	124.8215	1.234	2	124.8215	1.234	2	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	B[4,5]-4:C[5]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]B[4,5]C[4]C[5])(C[6a]C[6a]H)2	C[4,5](B[4,5]N[5,6]C[6a]O[4])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[4]O[4]O)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]B[4,5]C[4]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[4,5](B[4,5]N[5,6]C[6a]O[4])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[4]O[4]O){2|H<1>,8|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	121.2165	1.419	2	121.2165	2.014	2	121.2165	2.014	2	120.8667	1.704	15	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:B[5]-3:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]B[5]C[4])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[6a]C[4]C[5])(B[5]C[6a]N[5])(C[4]C[6a]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]B[5]C[4])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	C[4,5](C[4,5]C[6a]C[4]C[5])(B[5]C[6a]N[5])(C[4]C[6a]C[4])(C[6a]C[6a]2){10|C<3>,1|S<1>,2|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	120.7063	2.521	3	120.8964	3.883	5	120.8964	3.883	5	120.8667	1.704	15	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:B[5]-3:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]B[5]C[4])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[6a]C[4]C[5])(B[5]C[6a]N[5])(C[4]C[6a]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]B[5]C[4])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	C[4,5](C[4,5]C[6a]C[4]C[5])(B[5]C[6a]N[5])(C[4]C[6a]C[4])(C[6a]C[6a]2){1|C<4>,1|S<1>,2|H<1>,9|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	121.1815	1.596	2	120.8964	3.883	5	120.8964	3.883	5	120.8667	1.704	15	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[4]C[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[6a]B[5]C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[4]C[5])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,1|S<1>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[6a]B[5]C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8330	1.141	2	120.8025	1.096	6	120.8025	1.096	6	120.8667	1.704	15	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[4]C[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[6a]B[5]C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[4]C[5])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,1|S<1>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[6a]B[5]C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)(C[5]N[5]S){2|H<1>,9|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7873	1.180	4	120.8025	1.096	6	120.8025	1.096	6	120.8667	1.704	15	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5,6]-3:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[5,6]C[4])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[6a]C[4]O[5])(C[5,6]C[5,6]C[6])(C[4]C[6a]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[5,6]C[4])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	C[4,5](C[4,5]C[6a]C[4]O[5])(C[5,6]C[5,6]C[6])(C[4]C[6a]C[4])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6350	0.663	2	120.6350	0.440	2	120.6350	0.440	2	120.8667	1.704	15	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:N[4,5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]N[4,5]C[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[4,5]C[5]H)(N[4,5]C[4,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]N[4,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)(N[4,5]C[4,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.7105	2.147	2	120.7105	4.612	2	120.7105	4.612	2	120.7105	4.612	2	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[5]O[4])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[4]C[5]C)(C[6a]C[6a]2)(C[5]S[5]CH)(O[4]C[4])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[5]O[4])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]C)(C[6a]C[6a]2)(C[5]S[5]CH)(O[4]C[4]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3150	0.740	2	120.3150	0.547	2	120.3279	1.230	7	120.2594	1.425	9	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[5]O[4])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[4]C[4])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[5]O[4])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[4]C[4]){1|O<1>,2|C<3>,6|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.3330	1.307	5	120.3330	1.708	5	120.3279	1.230	7	120.2594	1.425	9	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:S[5]-4:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]O[4]S[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(S[5]C[5]OO)(O[4]O[4])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]O[4]S[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(S[5]C[5]OO)(O[4]O[4]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	118.6280	0.000	1	118.6280	0.000	1	120.0200	3.875	2	120.2594	1.425	9	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:S[5]-4:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]O[4]S[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(S[5]C[5]OO)(O[4]O[4])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[4,5]C[4,5]O[4]S[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(S[5]C[5]OO)(O[4]O[4]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	121.4120	0.000	1	121.4120	0.000	1	120.0200	3.875	2	120.2594	1.425	9	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,6|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,9|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	121.1695	1.307	8	121.1429	1.219	30	121.1429	1.219	30	121.0897	1.395	35	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,6|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,9|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	121.2024	1.378	8	121.1429	1.219	30	121.1429	1.219	30	121.0897	1.395	35	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,6|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,9|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4020	0.772	2	121.1429	1.219	30	121.1429	1.219	30	121.0897	1.395	35	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,6|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,9|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	121.3580	0.545	4	121.1429	1.219	30	121.1429	1.219	30	121.0897	1.395	35	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[5,6a]C[4,5]2)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,6|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,9|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8846	1.051	8	121.1429	1.219	30	121.1429	1.219	30	121.0897	1.395	35	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[4]C[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]CH)(C[5]N[5]O)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[4]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]CH)(C[5]N[5]O){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6870	1.945	4	120.6870	3.782	4	120.6870	3.782	4	121.0897	1.395	35	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[4]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]C)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]I)(H)	C[6a](C[4,5]C[4,5]C[4]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|I<1>,2|C<3>,3|C<4>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]C){1|O<2>,2|C<3>,7|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]I)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	121.1030	0.000	1	121.1030	0.000	1	121.1030	0.000	1	121.0897	1.395	35	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:2:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-4:N[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[4,5]C[4,5]C[4]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]C)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[4,5]C[4,5]C[4]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|I<1>,2|C<3>,3|C<4>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]C){1|O<2>,2|C<3>,7|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.7430	0.000	1	121.7430	0.000	1	121.7430	0.000	1	121.7430	0.000	1	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[4]C[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[4]C[5]Si)(C[6a]C[6a]2)(C[4]C[4]HH)(C[5]C[5]HH)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[4]C[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,3|C<4>,6|H<1>}	C[4,5](C[4,5]C[4]C[5]Si)(C[6a]C[6a]2)(C[4]C[4]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,7|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.0850	2.192	2	121.0850	4.805	2	121.0850	4.805	2	121.0222	4.104	4	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-4:N[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[4]N[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]HH)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[4]N[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,7|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]HH){2|C<3>,8|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	120.9595	2.737	2	120.9595	7.492	2	120.9595	7.492	2	121.0222	4.104	4	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5,6,6]-4:C[5]-4:O[4]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5,6,6]C[5]O[4])(C[6a]C[6a]H)2	C[4,5](C[4,5,6,6]C[4,6,6]C[5,3x6]H)(C[5]C[5,6,6]HH)(O[4]C[4,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5,6,6]C[5]O[4])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[4,5](C[4,5,6,6]C[4,6,6]C[5,3x6]H)(C[5]C[5,6,6]HH)(O[4]C[4,6,6])(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8435	0.913	2	120.8435	0.833	2	120.8435	0.833	2	120.8435	0.833	2	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,3x5,6]-4:C[4,3x5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,3x5,6]2O)(C[6a]C[6a]H)2	C[4,5](C[4,3x5,6]C[4,3x5,6,6]C[4x5,6,6]C)(C[4,3x5,6]C[4,3x5,6,6]C[4x5,6,6]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,3x5,6]2O)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[4,5](C[4,3x5,6]C[4,3x5,6,6]C[4x5,6,6]C)(C[4,3x5,6]C[4,3x5,6,6]C[4x5,6,6]H)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0670	3.366	2	121.0670	11.329	2	121.0670	11.329	2	120.7609	2.257	12	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,4,5,5]-4:C[4,3x5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,4,5,5]C[4,3x5]O)(C[6a]C[6a]H)2	C[4,5](C[4,4,5,5]C[4,4,5,5]C[4,3x5]C)(C[4,3x5]C[4,4,5,5]C[3x5]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,4,5,5]C[4,3x5]O)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[4,5](C[4,4,5,5]C[4,4,5,5]C[4,3x5]C)(C[4,3x5]C[4,4,5,5]C[3x5]H)(C[6a]C[6a]2)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.0000	0.184	2	121.0000	0.034	2	121.0000	0.034	2	120.7609	2.257	12	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]2N[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]O[4]O[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]2N[5])(C[6a]C[6a]H)2{2|O<2>,3|H<1>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]O[4]O[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	120.1075	2.835	2	120.1075	8.036	2	120.1075	8.036	2	120.7609	2.257	12	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]2O[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[4,5]C[4,5]C[5]Cl)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]2O[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[4,5]C[4,5]C[5]Cl)(C[6a]C[6a]2)(O[5]C[5,6a]){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.4835	1.474	2	120.4835	2.174	2	120.4835	2.174	2	120.7609	2.257	12	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4,6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[4,6]O[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[4,6]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9537	0.774	4	120.9537	0.600	4	120.9537	0.600	4	120.7609	2.257	12	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5,5]-4:C[4]-4:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5,5]C[4]N[5])(C[6a]C[6a]H)2	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5,5]C[4]N[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8975	3.133	2	120.8975	9.817	2	120.8975	9.817	2	120.7410	3.307	4	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	P[4,5]-4:C[4]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]P[4,5]C[4]C[5])(C[6a]C[6a]H)2	C[4,5](P[4,5]N[4]P[5]O)(C[4]C[6a]N[4]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]P[4,5]C[4]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|P<4>,3|H<1>,4|C<3>}	C[4,5](P[4,5]N[4]P[5]O)(C[4]C[6a]N[4]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	120.5845	0.070	2	120.5845	0.005	2	120.5845	0.005	2	120.7410	3.307	4	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-4:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[4]C[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[4,5](C[4,5]C[4,6]O[5]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(C[5]B[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,5]C[6a])(H)	C[6a](C[4,5]C[4,5]C[4]C[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[4,5](C[4,5]C[4,6]O[5]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(C[5]B[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,5]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	122.8240	0.000	1	122.8240	0.000	1	122.8240	0.000	1	120.7680	8.454	2	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[4]C[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[4,5](C[4,5]C[4,6]O[5]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(C[5]B[5]HH)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[4,5]C[4,5]C[4]C[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[4,5](C[4,5]C[4,6]O[5]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(C[5]B[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	118.7120	0.000	1	118.7120	0.000	1	118.7120	0.000	1	120.7680	8.454	2	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,5]	C[6a]	4:3:3:	6:4:3:3:	3:3:1:	C[4,5]-4:C[6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]N[5])(C[6a]C[6a]H)2	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(C[6a]C[6a]2)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(C[6a]C[6a]2){4|C<3>,5|B<6>,6|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	120.9945	6.028	2	120.9945	36.338	2	120.9945	36.338	2	120.9945	36.338	2	120.6502	3.422	150	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6,6]	C[6a]	4:3:2:	3:3:3:4:	3:3:1:	C[4,6,6]-4:C[6a]-3:N[6a]-2:	Ge[3x6]-3:Ge[4,6,6]-3:C[6a]-3:P[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6,6]Ge[4,6,6]Ge[3x6]P[4])(C[6a]C[6a]H)(N[6a]C[6a])	C[4,6,6](Ge[3x6]N[3x6]N[6,6])(Ge[4,6,6]C[3x6]N[4])(C[6a]C[6a]N[6a])(P[4]N[4]CC)	C[6a](C[6a]C[4,6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6,6]Ge[4,6,6]Ge[3x6]P[4])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,3|N<3>,4|C<4>}	C[4,6,6](Ge[3x6]N[3x6]N[6,6])(Ge[4,6,6]C[3x6]N[4])(C[6a]C[6a]N[6a])(P[4]N[4]CC){2|Si<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[4,6,6]N[6a])(C[6a]C[6a]H)(H){2|Ge<3>,1|C<3>,1|H<1>,1|P<4>}	122.3370	0.000	1	122.3370	0.000	1	122.3370	0.000	1	122.3370	0.000	1	120.4851	0.779	11	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6,6]	C[6a]	4:3:3:	4:2:3:3:	3:3:1:	C[4,6,6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:O[4,6]-2:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6,6]C[4,6]C[6,6]O[4,6])(C[6a]C[6a]H)2	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6,6]C[4,6]C[6,6]O[4,6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1860	0.822	6	120.1860	0.675	6	120.1860	0.675	6	120.1860	0.675	6	120.4851	0.779	11	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[4,6,6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4,6]-4:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6,6]C[4,6]2C[6,6])(C[6a]C[6a]H)2	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]C[6,6,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6,6]C[4,6]2C[6,6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]C[6,6,6a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5860	0.188	2	120.5860	0.035	2	120.4707	0.147	4	120.4707	0.147	4	120.4851	0.779	11	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[4,6,6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4,6]-4:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6,6]C[4,6]2C[6,6])(C[6a]C[6a]H)2	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6,6]C[4,6]2C[6,6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3555	0.595	2	120.3555	0.354	2	120.4707	0.147	4	120.4707	0.147	4	120.4851	0.779	11	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[4,6]-4:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[4,6]-3:C[4]-4:C[6]-4:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[4,6]C[4,6]C[4]C[6])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[4,6](C[6a]C[6a,6a]C[6a])(C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6a](C[4,6]C[4,6]C[4]C[6])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>,6|H<1>}	C[4,6](C[6a]C[6a,6a]C[6a])(C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH){4|C<3>,5|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	121.0010	0.000	1	121.0010	0.000	1	121.0010	0.000	1	121.0010	0.000	1	121.0010	0.000	1	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	N[4,6]-3:C[6a]-3:C[4]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]N[4,6]C[4]C[6])(C[6a]C[6a]H)2	C[4,6](N[4,6]C[4]C[6])(C[6a]C[6a]2)(C[4]C[4]C)(C[6]N[6]O)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]N[4,6]C[4]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[4,6](N[4,6]C[4]C[6])(C[6a]C[6a]2)(C[4]C[4]C)(C[6]N[6]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	120.8000	0.209	2	120.8000	0.044	2	120.8000	0.044	2	120.8000	0.044	2	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	N[4,6]-3:C[6a]-3:C[4]-4:S[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]N[4,6]C[4]S[6])(C[6a]C[6a]H)2	C[4,6](N[4,6]C[4]C[6])(C[6a]C[6a]2)(C[4]C[4]CH)(S[6]C[6])	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]N[4,6]C[4]S[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[6a]C[6a]2)(C[4]C[4]CH)(S[6]C[6]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	120.9035	0.381	2	120.9035	0.145	2	120.9035	0.145	2	120.9035	0.145	2	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[4,6]-4:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[4,6]-3:C[4]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,6]C[4]C[6])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[4,6](C[6a]C[6a,6a]C[6a])(C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH)	C[6a](C[6a]C[6a,6a]C[4,6])(C[6a]C[6a,6a]H)(H)	C[6a](C[4,6]C[4,6]C[4]C[6])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>,6|H<1>}	C[4,6](C[6a]C[6a,6a]C[6a])(C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[4,6])(C[6a]C[6a,6a]H)(H){2|C<4>,4|C<3>}	120.3500	0.000	1	120.3500	0.000	1	120.3500	0.000	1	120.3500	0.000	1	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[6,6a]C[4,6]C[4])(C[6a]C[6a]H)2	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[6a]C[6a]2)(C[4]C[4]C)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[6,6a]C[4,6]C[4])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[6a]C[6a]2)(C[4]C[4]C){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3067	0.432	4	121.3067	0.187	4	121.3067	0.187	4	121.3067	0.187	4	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[3,4]-4:C[4,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[6,6a]C[3,4]C[4,6])(C[6a]C[6a]H)2	C[4,6](C[6,6a]C[6,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,6]C[4]C[6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[6,6a]C[3,4]C[4,6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>,4|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,6]C[4]C[6]C)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>,9|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2493	3.348	4	121.2493	11.210	4	121.2924	7.100	8	121.2924	7.100	8	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[3,4]-4:C[4,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[6,6a]C[3,4]C[4,6])(C[6a]C[6a]H)2	C[4,6](C[6,6a]C[6,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,6]C[4]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[6,6a]C[3,4]C[4,6])(C[6a]C[6a]H)2{3|C<4>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,6]C[4]C[6]H)(C[6a]C[6a]2){1|N<3>,5|C<3>,9|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3355	2.313	4	121.3355	5.352	4	121.2924	7.100	8	121.2924	7.100	8	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,6]C[4]C[6])(C[6a]C[6a]H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,6]C[4]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(C[4]C[4]O){2|H<1>,4|C<4>,5|C<3>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8920	0.157	2	120.8920	0.025	2	120.8920	0.025	2	120.8920	0.025	2	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,3x6]-4:C[4,6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,3x6]C[4,6,6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4,6](C[4,3x6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,3x6]C[4,6,6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,3x6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(O){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	114.7110	0.099	2	114.7110	0.010	2	114.7110	0.010	2	119.8923	7.874	12	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)(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[4,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9585	2.683	2	120.9973	5.098	4	120.9285	2.464	10	119.8923	7.874	12	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0360	2.844	2	120.9973	5.098	4	120.9285	2.464	10	119.8923	7.874	12	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)2(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[4,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8900	2.440	2	120.8900	5.951	2	120.9285	2.464	10	119.8923	7.874	12	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[4,6](C[4,6,6]C[6,6,6a]C[4,6]H)(C[4,6,6]C[4,6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,6,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[4,6](C[4,6,6]C[6,6,6a]C[4,6]H)(C[4,6,6]C[4,6]C[6,6]H)(C[6a]C[6a]2)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0165	0.663	2	121.0165	0.439	2	120.9285	2.464	10	119.8923	7.874	12	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[4,6](C[4,6,6]C[6,6]N[4,6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,6,6]2H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[4,6](C[4,6,6]C[6,6]N[4,6]H)2(C[6a]C[6a]2)(H){1|C<4>,1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7415	0.620	2	120.7415	0.385	2	120.9285	2.464	10	119.8923	7.874	12	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,3x6]-4:C[4,6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[4,6]C[4,3x6]C[4,6,6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4,6](C[4,3x6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[4,6]C[4,3x6]C[4,6,6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,3x6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(O){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	126.7615	0.313	2	126.7615	0.098	2	126.7615	0.098	2	126.7615	0.098	2	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,3x6]-4:C[4,3x6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,3x6]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4,6](C[4,3x6]C[4,3x6]C[4x6]C)(C[4,3x6]C[4,3x6]C[4x6]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,3x6]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,3x6]C[4,3x6]C[4x6]C)(C[4,3x6]C[4,3x6]C[4x6]H)(C[6a]C[6a]2)(OH){2|C<3>,4|H<1>,5|C<4>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.1260	1.073	2	120.1260	1.152	2	120.4340	3.209	4	120.8750	2.169	16	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,3x6]-4:C[4,3x6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,3x6]2O)(C[6a]C[6a]H)2	C[4,6](C[4,3x6]C[4,3x6]C[4x6]C)(C[4,3x6]C[4,3x6]C[4x6]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,3x6]2O)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,3x6]C[4,3x6]C[4x6]C)(C[4,3x6]C[4,3x6]C[4x6]H)(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.7420	2.845	2	120.7420	8.096	2	120.4340	3.209	4	120.8750	2.169	16	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,3x6]-4:C[4,6,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,3x6]C[4,6,6]O)(C[6a]C[6a]H)2	C[4,6](C[4,3x6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,3x6]C[4,6,6]O)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,3x6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(OH){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.5865	2.963	2	120.5865	8.782	2	120.9357	6.302	4	120.8750	2.169	16	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,3x6]-4:C[4,6,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,3x6]C[4,6,6]O)(C[6a]C[6a]H)2	C[4,6](C[4,3x6]C[4,6,6]C[6,6]C[6])(C[4,6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,3x6]C[4,6,6]O)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,3x6]C[4,6,6]C[6,6]C[6])(C[4,6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(OH){2|C<3>,3|C<4>,9|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.2850	3.104	2	121.2850	9.636	2	120.9357	6.302	4	120.8750	2.169	16	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4,6]-4:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,6]2O[6])(C[6a]C[6a]H)2	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,6]2O[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6a]C[6a]2)(O[6]B[6]){1|O<2>,2|C<4>,2|F<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0957	0.546	6	121.0957	0.298	6	121.0651	0.416	8	120.8750	2.169	16	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4,6]-4:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,6]2O[6])(C[6a]C[6a]H)2	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,6]2O[6])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(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[4,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9735	1.183	2	120.9735	1.399	2	121.0651	0.416	8	120.8750	2.169	16	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:4:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,3x6]-4:C[4,3x6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[4,6]C[4,3x6]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4,6](C[4,3x6]C[4,3x6]C[4x6]C)(C[4,3x6]C[4,3x6]C[4x6]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[4,6]C[4,3x6]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,3x6]C[4,3x6]C[4x6]C)(C[4,3x6]C[4,3x6]C[4x6]H)(C[6a]C[6a]2)(OH){2|C<3>,4|H<1>,5|C<4>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6900	1.328	2	120.6900	1.763	2	120.6900	1.763	2	120.6900	1.763	2	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[4,6]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[4]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6]C[4,6,6]C[4]C[6])(C[6a]C[6a]H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6]C[4,6,6]C[4]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,7|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8780	0.641	2	120.8780	0.410	2	120.8780	0.410	2	120.8780	0.410	2	120.9523	4.903	53	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[4]-4:	C[6a]-3:C[4]-4:N[4]-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[4]C[4]N[4]H)	C[4](C[6a]C[6a,6a]2)(C[4]C[4]N[6]H)(N[4]C[6a]C[4])(H)	C[6a,6a](C[6a]C[6a,6a]C[4])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[4]C[4]N[4]H){1|N<3>,3|H<1>,7|C<3>}	C[4](C[6a]C[6a,6a]2)(C[4]C[4]N[6]H)(N[4]C[6a]C[4])(H){1|O<1>,8|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[4])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.8895	3.224	2	119.8895	10.392	2	119.8895	10.392	2	119.8893	5.196	3	119.6256	19.162	24	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[6a]N[4]H)(C[4]N[4]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[4]C[4]2H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[6a]N[4]H)(C[4]N[4]O)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	119.8890	0.000	1	119.8890	0.000	1	119.8890	0.000	1	119.8893	5.196	3	119.6256	19.162	24	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[4]C[6]H)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,4|H<1>,5|C<3>}	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[4]C[6]H)2(H){2|H<1>,2|N<3>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[4])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	117.5510	0.305	2	117.5510	0.093	2	118.5539	1.088	7	118.5539	1.088	7	119.6256	19.162	24	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[5a]C[4]H)(C[4]C[6a]C[4]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,4|H<1>,5|C<3>}	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[5a]C[4]H)(C[4]C[6a]C[4]H)(H){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[4])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	118.7545	1.063	2	118.7545	1.130	2	118.5539	1.088	7	118.5539	1.088	7	119.6256	19.162	24	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[5a]C[4]H)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,4|H<1>,5|C<3>}	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[5a]C[4]H)2(H){2|H<1>,2|N<2>,2|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[4])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.5825	0.944	2	119.5825	0.891	2	118.5539	1.088	7	118.5539	1.088	7	119.6256	19.162	24	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[6a]C[4]H)2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[6a]C[4]H)2(H){2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[4])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	118.1010	0.000	1	118.1010	0.000	1	118.5539	1.088	7	118.5539	1.088	7	119.6256	19.162	24	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a,6a]	3:3:4:	4:3:3:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[4]-4:	C[4,6]-4:C[6a]-3:N[4]-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[4]C[4,6]N[4]H)	C[4](C[4,6]C[6,6a]2C[4])(C[6a]C[6a,6a]2)(N[4]C[6a]C[4])(H)	C[6a,6a](C[6a]C[6a,6a]C[4])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[4]C[4,6]N[4]H){2|H<1>,9|C<3>}	C[4](C[4,6]C[6,6a]2C[4])(C[6a]C[6a,6a]2)(N[4]C[6a]C[4])(H){10|C<3>,1|O<1>}	C[6a,6a](C[6a]C[6a,6a]C[4])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.1050	5.632	14	120.1050	31.718	14	120.1050	31.718	14	120.1050	31.718	14	119.6256	19.162	24	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:S[4]-2:S[4]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]S[4]2H)	C[4](C[6a]C[6a]2)(S[4]C[4])2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]S[4]2H){2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(S[4]C[4])2(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|S<2>}	120.0705	0.347	2	120.0705	0.121	2	120.0705	0.121	2	120.0705	0.121	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]N)(C[4]C[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]N)(C[4]C[4]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5610	0.253	2	120.5610	0.064	2	120.5065	0.358	10	120.5175	0.388	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]N[4]C)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]C)(C[4]N[4]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.2125	0.865	4	120.2125	0.749	4	120.5065	0.358	10	120.5175	0.388	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]N[4]N)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[4](C[6a]C[6a]2)(C[4]N[4]N)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.0285	0.028	2	120.7733	0.091	4	120.5065	0.358	10	120.5175	0.388	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]N[4]N)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[4](C[6a]C[6a]2)(C[4]N[4]N)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5180	0.115	2	120.7733	0.091	4	120.5065	0.358	10	120.5175	0.388	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:N[4]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2(H){1|Ge<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.5725	1.022	2	120.5725	1.044	2	120.5725	1.044	2	120.5175	0.388	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]N[4]O)(C[4]N[4]S)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]O)(C[4]N[4]S)(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.3321	2.090	8	120.3321	4.367	8	120.3321	4.367	8	120.6167	4.300	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-3:C[4]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2P)	C[4](C[6a]C[6a]2)(C[4]C[4]O)2(PC3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2P){2|C<3>,2|H<1>,2|O<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]O)2(PC3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	121.1860	0.068	2	121.1860	0.005	2	121.1860	0.005	2	120.6167	4.300	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:N[4]-3:N[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2C)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2(CCHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.1855	3.845	2	121.1855	14.780	2	121.1855	14.780	2	120.6167	4.300	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]N[4])(C[6a]C[6a]2)(C[4]N[4]CC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<2>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]N[4])(C[6a]C[6a]2)(C[4]N[4]CC)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5275	1.278	2	120.5275	1.633	2	120.5275	1.633	2	120.5275	1.633	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[6a]N[4]H)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[4]C[4]2H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[6a]N[4]H)(C[4]N[4]O)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6520	0.000	1	120.6520	0.000	1	120.6520	0.000	1	120.8542	1.045	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]O[4]CH)(C[4]O[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[4](C[6a]C[6a]2)(C[4]O[4]CH)(C[4]O[4]O)(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	121.1725	0.961	2	121.1725	0.923	2	121.0097	0.541	3	120.8542	1.045	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]O[4]HH)(C[4]O[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]O[4]HH)(C[4]O[4]O)(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	120.6840	0.000	1	120.6840	0.000	1	121.0097	0.541	3	120.8542	1.045	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]O[4]CH)(C[4]O[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[4](C[6a]C[6a]2)(C[4]O[4]CH)(C[4]O[4]O)(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.2975	0.120	2	121.2975	0.014	2	120.8386	1.232	17	120.8542	1.045	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]O[4]HH)(C[4]O[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]O[4]HH)(C[4]O[4]O)(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.3860	0.000	1	121.3860	0.000	1	120.8386	1.232	17	120.8542	1.045	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7235	2.320	2	120.7235	5.382	2	120.8386	1.232	17	120.8542	1.045	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0020	0.204	2	121.0020	0.041	2	120.8386	1.232	17	120.8542	1.045	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]O)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6335	0.986	2	120.6335	0.973	2	120.8386	1.232	17	120.8542	1.045	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]Ru)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|Ru<8>,1|C<3>,1|C<4>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]Ru)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9340	0.239	2	120.9340	0.057	2	120.8386	1.232	17	120.8542	1.045	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]N[4]CH)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]CH)(C[4]N[4]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5332	1.452	4	120.6150	2.407	6	120.8386	1.232	17	120.8542	1.045	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]N[4]CH)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]CH)(C[4]N[4]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7785	2.372	2	120.6150	2.407	6	120.8386	1.232	17	120.8542	1.045	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[6a]C[6a]2)(C[4]N[4]CC)(C[4]N[4]O)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]CC)(C[4]N[4]O)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.8340	1.016	4	120.8340	1.032	4	120.8520	0.946	6	120.8520	0.946	6	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[6a]C[6a]2)(C[4]N[4]HH)(C[4]N[4]O)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]HH)(C[4]N[4]O)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8880	1.277	2	120.8880	1.631	2	120.8520	0.946	6	120.8520	0.946	6	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]C)(COO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|C<4>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]C)(COO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7370	2.208	2	120.7370	4.873	2	120.7660	4.021	8	120.7660	4.021	8	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]C)(COO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]C)(COO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,3|C<3>}	120.8515	3.720	2	120.7757	4.655	6	120.7660	4.021	8	120.7660	4.021	8	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]C)(COO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]C)(COO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7378	1.772	4	120.7757	4.655	6	120.7660	4.021	8	120.7660	4.021	8	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]O[4]CH)(C[4]O[4]O)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[4]C[4]2C){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]O[4]CH)(C[4]O[4]O)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	122.7910	0.000	1	122.7910	0.000	1	122.7910	0.000	1	121.0195	0.775	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]O[4]CH)(C[4]O[4]O)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[4]C[4]2C){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]O[4]CH)(C[4]O[4]O)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	120.8720	0.000	1	120.8720	0.000	1	120.9262	0.634	19	121.0195	0.775	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]C)(CHHN)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|C<4>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]C)(CHHN){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7515	1.090	4	120.7515	1.188	4	120.9262	0.634	19	121.0195	0.775	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){2|C<3>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H)(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	120.6045	0.681	2	120.9800	0.591	14	120.9262	0.634	19	121.0195	0.775	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){2|C<3>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H)(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	121.0282	0.878	8	120.9800	0.591	14	120.9262	0.634	19	121.0195	0.775	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){2|C<3>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H)(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0713	0.706	4	120.9800	0.591	14	120.9262	0.634	19	121.0195	0.775	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[4]C[6]H)2(H)	C[6a](C[6a]C[6a,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,4|H<1>,5|C<3>}	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[4]C[6]H)2(H){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.2425	0.250	2	123.2425	0.062	2	122.7939	1.700	7	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[5a]C[4]H)(C[4]C[6a]C[4]H)(H)	C[6a](C[6a]C[6a,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,4|H<1>,5|C<3>}	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[5a]C[4]H)(C[4]C[6a]C[4]H)(H){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.3545	0.626	2	122.3545	0.392	2	122.7939	1.700	7	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[5a]C[4]H)2(H)	C[6a](C[6a]C[6a,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,4|H<1>,5|C<3>}	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[5a]C[4]H)2(H){2|H<1>,2|N<2>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.7755	1.677	2	121.7755	2.811	2	122.7939	1.700	7	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[6a]C[4]H)2(H)	C[6a](C[6a]C[6a,6a]C[4])(C[6a]N[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[4](C[6a]C[6a,6a]C[6a])(C[4]C[6a]C[4]H)2(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]C[4])(C[6a]N[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	124.8120	0.000	1	124.8120	0.000	1	122.7939	1.700	7	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	122.5340	0.000	1	122.5340	0.000	1	122.5340	0.000	1	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	122.9825	3.136	2	122.9825	9.835	2	122.9825	9.835	2	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7520	0.000	1	120.7520	0.000	1	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	120.9470	0.675	2	120.7510	0.343	3	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.3590	0.000	1	120.7510	0.343	3	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[4]C[4]2H){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.1010	0.184	2	120.1010	0.034	2	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.0180	0.085	2	124.0180	0.007	2	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CO)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CO)(C[4]C[4]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.3250	0.000	1	122.3250	0.000	1	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){2|C<3>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2000	0.403	4	120.2000	0.163	4	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	118.8530	0.000	1	118.8530	0.000	1	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){2|C<4>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]CH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1282	2.427	4	121.1282	5.888	4	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){2|C<3>,2|C<4>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]HH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8540	0.117	2	120.8540	0.014	2	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0420	1.532	4	121.3341	2.905	50	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,2|C<3>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0320	1.743	4	121.3341	2.905	50	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,2|C<3>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.4855	2.435	2	121.3341	2.905	50	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,2|C<3>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7345	3.051	2	121.3341	2.905	50	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,2|C<3>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.4032	2.045	14	121.3341	2.905	50	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,2|C<3>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.4460	3.079	4	121.3341	2.905	50	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,2|C<3>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.4269	1.178	20	121.3341	2.905	50	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	121.1847	1.463	4	121.1847	2.141	4	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	118.6280	0.000	1	118.6280	0.000	1	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.3058	2.122	4	120.3058	4.502	4	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.5770	0.000	1	121.0564	4.882	70	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<3>,3|C<4>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8627	3.887	10	121.0564	4.882	70	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.1370	0.000	1	121.0564	4.882	70	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3793	1.163	6	121.0564	4.882	70	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1550	3.181	2	121.0564	4.882	70	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	120.5190	2.780	2	121.0564	4.882	70	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3168	1.495	12	121.0564	4.882	70	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	120.5971	3.220	8	121.0564	4.882	70	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8929	1.310	20	121.0564	4.882	70	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1800	1.916	2	121.0564	4.882	70	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1972	2.506	6	121.0564	4.882	70	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	118.4100	0.000	1	118.4100	0.000	1	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6510	1.518	6	119.7250	3.613	8	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9470	3.694	2	119.7250	3.613	8	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.5717	1.499	4	121.5717	2.247	4	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<3>,1|C<4>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9165	1.405	4	121.0561	0.876	10	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<3>,1|C<4>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8510	0.218	2	121.0561	0.876	10	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){2|C<3>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	121.2005	1.003	2	121.0561	0.876	10	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){2|C<3>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.3960	0.684	2	121.0561	0.876	10	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]N[4]CC)(C[4]N[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]CC)(C[4]N[4]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7215	3.296	2	120.8410	6.752	4	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]N[4]CC)(C[4]N[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<3>,3|H<1>,4|C<3>}	C[4](C[6a]C[6a]2)(C[4]N[4]CC)(C[4]N[4]CH)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9605	3.055	2	120.8410	6.752	4	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]N[4]CH)(C[4]N[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<3>,2|C<3>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]CH)(C[4]N[4]HH)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.8690	3.311	2	120.8690	10.961	2	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]N[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]CH)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7555	1.949	8	120.8347	2.824	12	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]N[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]CH)2(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9635	1.443	2	120.8347	2.824	12	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]N[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]CH)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0225	1.497	2	120.8347	2.824	12	121.0150	3.620	190	121.1046	3.693	200	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	117.5910	0.481	2	117.5910	0.231	2	121.3189	7.502	7	121.3189	7.502	7	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CO)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CO)(C[4]C[4]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	120.6680	0.000	1	120.6680	0.000	1	121.3189	7.502	7	121.3189	7.502	7	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){2|C<3>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	123.3455	0.212	4	123.3455	0.045	4	121.3189	7.502	7	121.3189	7.502	7	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[4]C[4]2H){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H){1|C<3>,2|C<4>,3|H<1>}	121.4000	0.396	2	121.4000	0.157	2	121.4000	0.157	2	121.4000	0.157	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CF3){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.8705	0.776	2	122.1290	0.501	3	122.1290	0.501	3	122.3705	0.568	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CF3){1|C<3>,2|C<4>,3|H<1>}	122.6460	0.000	1	122.1290	0.501	3	122.1290	0.501	3	122.3705	0.568	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[4]C[4]2H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(PC[6a]2S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(PC[6a]2S){1|C<3>,2|C<4>,3|H<1>}	123.0950	0.000	1	123.0950	0.000	1	123.0950	0.000	1	122.3705	0.568	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]HN)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]HN)(OH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.8235	1.662	2	121.8235	2.764	2	121.0779	3.467	16	121.0566	2.862	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HN)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]HN)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.7045	0.009	2	121.7045	0.000	2	121.0779	3.467	16	121.0566	2.862	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]HN)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]HN)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.4120	1.213	2	121.4120	1.472	2	121.0779	3.467	16	121.0566	2.862	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]HS)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){1|C<3>,1|C<4>,1|S<3>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]HS)(OH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5187	1.112	4	120.5187	1.236	4	121.0779	3.467	16	121.0566	2.862	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){1|C<3>,1|C<4>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5605	4.048	2	120.5800	8.321	4	121.0779	3.467	16	121.0566	2.862	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){1|C<3>,1|C<4>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(OC){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5995	2.928	2	120.5800	8.321	4	121.0779	3.467	16	121.0566	2.862	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(OI[5])	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){1|C<3>,1|C<4>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(OI[5]){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.4860	3.796	2	121.4860	14.408	2	121.0779	3.467	16	121.0566	2.862	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2S)	C[4](C[6a]C[6a]2)(C[4]N[4]HH)2(SC[6a])	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2S){1|C<3>,1|N<3>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]HH)2(SC[6a]){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	120.9715	0.882	4	120.9715	0.778	4	120.9715	0.778	4	121.0566	2.862	20	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2C){1|C<3>,2|C<4>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	118.4580	0.000	1	118.4580	0.000	1	120.8728	1.283	31	120.8728	1.283	31	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)2(CCHH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	120.8570	1.846	4	120.8570	3.406	4	120.8728	1.283	31	120.8728	1.283	31	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|C<3>,1|C<4>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CCHH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	121.1015	0.131	2	121.1015	0.017	2	120.8728	1.283	31	120.8728	1.283	31	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|C<3>,1|C<4>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CH3){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7105	1.259	2	120.9570	0.963	24	120.8728	1.283	31	120.8728	1.283	31	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|C<3>,1|C<4>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CH3){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9787	1.093	18	120.9570	0.963	24	120.8728	1.283	31	120.8728	1.283	31	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){2|C<3>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9825	0.220	4	120.9570	0.963	24	120.8728	1.283	31	120.8728	1.283	31	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2C){1|C<3>,2|C<4>,5|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	122.8560	0.000	1	122.8560	0.000	1	121.1105	0.538	21	121.1105	0.538	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(C[4]C[4]2C)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(C[4]C[4]2C){1|C<3>,1|C<4>,6|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)2(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,5|C<4>}	121.0233	0.631	20	121.0233	0.398	20	121.1105	0.538	21	121.1105	0.538	21	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){3|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6265	2.490	2	120.6265	6.199	2	120.6265	6.199	2	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(H){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	120.1425	0.204	2	120.1425	0.042	2	120.1425	0.042	2	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(H){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.3940	0.148	2	121.3940	0.022	2	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3750	0.000	1	121.3750	0.000	1	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[5]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[4](C[4]C[5]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0515	0.600	14	120.9800	0.508	24	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[5]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[4](C[4]C[5]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9095	1.131	6	120.9800	0.508	24	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[5]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[4](C[4]C[5]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8353	0.377	4	120.9800	0.508	24	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]2N[4])(C[6a]C[6a]2)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]2N[4])(C[6a]C[6a]2)(C[4]N[4]O)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8750	0.722	4	120.8750	0.521	4	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]O)(C[6a]C[6a]2)(C[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|O<2>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]O)(C[6a]C[6a]2)(C[4]C[4]C)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8745	2.375	2	120.8745	5.641	2	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]N[4]C)(C[6a]C[6a]2)(C[4]N[4]N)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<2>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]N[4]C)(C[6a]C[6a]2)(C[4]N[4]N)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0015	1.686	2	120.9008	1.799	4	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]N[4]C)(C[6a]C[6a]2)(C[4]N[4]N)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]N[4]C)(C[6a]C[6a]2)(C[4]N[4]N)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8000	1.585	2	120.9008	1.799	4	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5910	0.000	1	120.9307	0.966	7	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	121.2720	0.526	2	120.9307	0.966	7	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.7440	2.254	2	120.9307	0.966	7	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9460	0.141	2	120.9307	0.966	7	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3780	0.000	1	120.3780	0.000	1	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]O[4]C)(C[6a]C[6a]2)(C[4]O[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]O[4]C)(C[6a]C[6a]2)(C[4]O[4]O)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.1767	1.071	6	121.1767	1.147	6	120.9899	0.741	51	120.9459	0.831	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	119.3890	0.000	1	119.3890	0.000	1	119.3890	0.000	1	119.3890	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]C)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){3|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]C)(OC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8240	1.356	2	120.8240	1.839	2	120.8240	1.839	2	120.7980	0.796	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2S)	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(SC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2S){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(SC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.7720	0.740	2	120.7720	0.547	2	120.7720	0.547	2	120.7980	0.796	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[4]C[6]Ni)(C[4]C[6a]C[4])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|Ni<5>,1|C<4>,2|H<1>,3|C<3>}	C[4](C[4]C[4]C[6]Ni)(C[4]C[6a]C[4])(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4510	0.834	4	121.4510	0.696	4	121.4510	0.696	4	120.8023	1.114	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)(CH3){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.4150	1.076	2	120.4150	1.158	2	120.7451	1.206	22	120.8023	1.114	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7275	0.684	2	120.7275	0.468	2	120.7451	1.206	22	120.8023	1.114	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(CH3){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9415	0.643	2	120.9415	0.413	2	120.7451	1.206	22	120.8023	1.114	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]N[4]S)(C[6a]C[6a]2)(C[4]N[4]O)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]N[4]S)(C[6a]C[6a]2)(C[4]N[4]O)(CH3){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5580	1.846	2	120.5580	3.406	2	120.7451	1.206	22	120.8023	1.114	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]O[4]C)(C[6a]C[6a]2)(C[4]O[4]O)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]O[4]C)(C[6a]C[6a]2)(C[4]O[4]O)(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.6665	1.754	2	120.6665	3.078	2	120.7451	1.206	22	120.8023	1.114	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(CCHH){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	121.4165	0.617	2	120.9279	0.449	8	120.7451	1.206	22	120.8023	1.114	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(CCHH){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6600	1.041	2	120.9279	0.449	8	120.7451	1.206	22	120.8023	1.114	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8175	0.579	4	120.9279	0.449	8	120.7451	1.206	22	120.8023	1.114	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(CH3){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5750	3.065	2	120.5880	4.305	4	120.7451	1.206	22	120.8023	1.114	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)(C[4]O[4]O)(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6010	1.877	2	120.5880	4.305	4	120.7451	1.206	22	120.8023	1.114	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-3:S-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2S)	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(SCOO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2S){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(SCOO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	120.1335	0.145	2	120.1335	0.021	2	120.1335	0.021	2	120.8023	1.114	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2F)	C[4](C[4]C[6a]C[4]F)(C[6a]C[6a]2)(C[4]C[4]FF)(F)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2F){1|C<4>,1|H<1>,1|N<3>,2|C<3>,3|F<1>}	C[4](C[4]C[6a]C[4]F)(C[6a]C[6a]2)(C[4]C[4]FF)(F){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N[5])(H){1|F<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	121.1880	0.342	2	121.1880	0.117	2	121.1880	0.117	2	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	116.4830	0.000	1	116.4830	0.000	1	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.1255	1.826	2	123.1255	3.336	2	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	122.8000	0.000	1	122.8000	0.000	1	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.4285	0.378	2	120.4285	0.143	2	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[5a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){3|C<3>,5|H<1>}	C[4](C[4]C[5a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.3650	0.382	2	121.3650	0.146	2	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1025	2.484	2	121.1025	6.171	2	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CC)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1920	2.148	2	121.1920	4.615	2	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(H){1|C<3>,2|C<4>,3|H<1>}	120.5744	2.369	12	120.5744	5.610	12	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.2487	0.919	3	121.1050	4.154	47	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.9231	2.734	8	121.1050	4.154	47	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5760	2.984	4	121.1050	4.154	47	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4435	1.675	8	121.1050	4.154	47	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8917	2.158	12	121.1050	4.154	47	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){2|C<3>,2|C<4>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7620	0.451	2	121.1050	4.154	47	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){2|C<3>,2|C<4>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2450	0.687	2	121.1050	4.154	47	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){2|C<3>,2|C<4>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7798	1.733	8	121.1050	4.154	47	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.3250	0.650	3	118.3250	0.422	3	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.4002	5.976	8	121.4002	35.718	8	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,2|C<3>,5|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8025	2.727	2	120.8025	7.438	2	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HN)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5975	2.855	2	120.5975	8.149	2	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]O)(C[6a]C[6a]2)(C[4]C[4]HO)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[4](C[4]C[6a]C[4]O)(C[6a]C[6a]2)(C[4]C[4]HO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0688	2.378	14	121.0688	5.655	14	120.9648	6.734	100	120.9692	6.603	102	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:F-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2F)	C[4](C[4]C[6a]C[4]F)(C[6a]C[6a]2)(C[4]C[4]FF)(F)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2F){1|C<4>,1|H<1>,1|N<3>,2|C<3>,3|F<1>}	C[4](C[4]C[6a]C[4]F)(C[6a]C[6a]2)(C[4]C[4]FF)(F){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.1960	0.000	1	120.1960	0.000	1	120.1960	0.000	1	120.1517	3.177	6	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.7650	2.257	2	118.9793	2.685	3	120.1428	3.971	5	120.1517	3.177	6	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4080	0.000	1	118.9793	2.685	3	120.1428	3.971	5	120.1517	3.177	6	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.8880	0.600	2	121.8880	0.360	2	120.1428	3.971	5	120.1517	3.177	6	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,3|H<1>}	124.9330	0.000	1	124.9330	0.000	1	124.9330	0.000	1	124.9330	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]HH)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){2|C<3>,2|C<4>,4|H<1>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]HH)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9845	2.177	2	120.9845	4.740	2	120.9319	4.690	18	120.9319	4.690	18	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){2|C<3>,2|C<4>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(OH){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9529	2.078	14	120.9254	4.999	16	120.9319	4.690	18	120.9319	4.690	18	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2O){2|C<3>,2|C<4>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)(OH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7325	4.330	2	120.9254	4.999	16	120.9319	4.690	18	120.9319	4.690	18	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2C)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)(CNO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2C){1|C<4>,2|C<3>,5|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)(CNO){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2C)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)(CNO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2C){1|C<4>,2|C<3>,5|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)(CNO){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHO){2|C<3>,2|C<4>,2|H<1>}	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]CH)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){2|C<3>,3|C<4>,3|H<1>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]CH)(CCHH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.6077	3.046	4	121.6077	9.279	4	121.4506	8.084	10	121.4506	8.084	10	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]CH)(CCHO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){2|C<3>,3|C<4>,3|H<1>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]CH)(CCHO){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	121.4905	3.831	4	121.4905	14.680	4	121.4506	8.084	10	121.4506	8.084	10	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[6a]-3:C[4]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C)	C[4](C[4]C[6a]C[4]O)(C[6a]C[6a]2)(C[4]C[4]HH)(CB[5]HH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]O)(C[6a]C[6a]2)(C[4]C[4]HH)(CB[5]HH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.0565	0.680	2	121.0565	0.462	2	121.4506	8.084	10	121.4506	8.084	10	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	120.4113	2.776	3	120.5259	3.812	7	120.9609	4.599	9	120.9609	4.599	9	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[4]C[4]2H){2|C<4>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	120.6118	1.570	4	120.5259	3.812	7	120.9609	4.599	9	120.9609	4.599	9	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)2(C[4]C[4]2H){1|C<4>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){2|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|N<2>,2|C<4>,3|H<1>}	122.4835	2.822	2	122.4835	7.964	2	120.9609	4.599	9	120.9609	4.599	9	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-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[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C[4])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C[4])(H){2|C<4>,2|H<1>,4|C<3>}	124.3890	0.000	1	124.3890	0.000	1	121.3427	2.504	7	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-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[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[4])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[4])(H){2|C<4>,3|C<3>,3|H<1>}	120.8350	0.916	6	120.8350	0.840	6	121.3427	2.504	7	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){1|Cl<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0335	1.330	2	120.0335	1.769	2	120.0335	1.769	2	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[4]C[5a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[5a]C[4]H)2(C[6a]C[6a]2)(H){1|F<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	118.3500	0.000	1	118.3500	0.000	1	121.7189	4.457	7	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(C[4]C[4]2H)	C[4](C[4]C[5a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(C[4]C[4]2H){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[4](C[4]C[5a]C[4]H)2(C[6a]C[6a]2)(H){1|H<1>,2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	122.3053	2.098	4	122.3053	4.403	4	121.7189	4.457	7	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(C[4]C[4]2H){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){1|H<1>,2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	122.2305	0.534	2	122.2305	0.285	2	121.7189	4.457	7	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-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[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[4])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[4])(H){2|C<3>,2|C<4>,2|H<1>}	119.9207	1.452	7	119.9207	2.107	7	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	117.9100	0.655	2	119.9747	2.776	6	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0070	0.471	4	119.9747	2.776	6	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){1|Cl<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.2530	1.185	2	123.2530	1.404	2	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[4]C[5a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[5a]C[4]H)2(C[6a]C[6a]2)(H){1|F<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	125.4220	0.000	1	125.4220	0.000	1	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[4]C[4]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[4]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.8020	0.000	1	124.8020	0.000	1	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-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]S)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	121.0330	1.319	2	121.0330	1.741	2	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|N<2>,2|C<4>,3|H<1>}	123.2157	2.836	3	123.2157	8.040	3	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[4]C[4]2H){2|C<4>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])2(H){1|N<2>,4|C<4>,4|H<1>}	121.3240	1.153	4	121.3240	1.328	4	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[4,5]C[6a]H)(C[4]C[4,5]CN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[4](C[4]C[4,5]C[6a]H)(C[4]C[4,5]CN)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.4145	1.114	2	121.4145	1.240	2	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[4,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<3>,1|C<4>,6|H<1>}	C[4](C[4]C[4,6]HH)2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1917	0.600	4	121.1917	0.360	4	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[4]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[4]C[4]C[6]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.5090	0.231	3	120.0318	2.278	5	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[4]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[4]C[6]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.8160	2.638	2	120.0318	2.278	5	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[4]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[4]C[4]C[6]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.2530	0.484	3	122.2530	0.234	3	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[5a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[5a]C[4]H)2(C[6a]C[6a]2)(H){2|N<2>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.8181	2.996	8	120.9829	7.934	10	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[5a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[5a]C[4]H)2(C[6a]C[6a]2)(H){2|N<2>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.6420	2.737	2	120.9829	7.934	10	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[5a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[4](C[4]C[5a]C[4]H)2(C[6a]C[6a]2)(H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.8507	2.038	6	121.8507	4.153	6	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7403	3.180	4	120.7403	10.110	4	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)(C[4]C[6a]C[4]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)(C[4]C[6a]C[4]O)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9490	1.509	2	120.9490	2.277	2	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.0410	0.000	1	120.9001	4.847	61	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){2|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8457	2.527	4	120.9001	4.847	61	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2267	1.004	4	120.9001	4.847	61	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,2|C<4>,2|H<1>}	121.1633	1.224	4	120.9001	4.847	61	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6429	2.607	10	120.9001	4.847	61	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3525	2.436	4	120.9001	4.847	61	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7129	1.809	14	120.9001	4.847	61	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8017	3.069	12	120.9001	4.847	61	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2147	2.248	4	120.9001	4.847	61	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9057	2.538	4	120.9001	4.847	61	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.9840	0.000	1	118.9840	0.000	1	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){2|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.0832	1.599	4	121.6728	3.748	120	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.6586	1.951	116	121.6728	3.748	120	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H)	C[4](C[4]C[6a]N[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2H){1|N<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]N[4]H)2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8970	1.051	2	120.8970	1.104	2	121.3405	4.258	246	121.3407	4.180	262	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[4]C[4]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[4]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	117.0970	0.000	1	117.0970	0.000	1	117.0970	0.000	1	119.7520	7.417	3	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(SC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(SC){1|C<3>,2|C<4>,3|H<1>}	121.0795	2.064	2	121.0795	4.260	2	121.0795	4.260	2	119.7520	7.417	3	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-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[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|C<4>,3|H<1>}	120.7163	0.281	4	120.7163	0.079	4	120.7163	0.079	4	120.7163	0.079	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|C<4>,3|H<1>}	123.5525	0.554	2	123.5525	0.307	2	123.5525	0.307	2	123.5525	0.307	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[4]-4:N[6a]-2:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a])	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]H)(C[4]C[4]C[6]H)(H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]H)(C[4]C[4]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.2525	0.029	2	123.2525	0.001	2	121.8574	1.594	8	123.7642	10.957	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[4]-4:N[6a]-2:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a])	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]H)2(H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]H)2(H){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.9202	0.277	4	121.3923	1.193	6	121.8574	1.594	8	123.7642	10.957	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[4]-4:N[6a]-2:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a])	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]H)2(H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]H)2(H){2|H<1>,7|C<3>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.3365	1.750	2	121.3923	1.193	6	121.8574	1.594	8	123.7642	10.957	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[4]-4:O[6a]-2:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[4]C[4]2H)(O[6a]C[6a])	C[4](C[6a]C[6a]O[6a])(C[4]C[6a]C[4]H)(C[4]C[4]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[4])(H)	C[6a](C[6a]C[6a,6a]H)(C[4]C[4]2H)(O[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[4](C[6a]C[6a]O[6a])(C[4]C[6a]C[4]H)(C[4]C[4]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[4])(H){2|C<4>,2|H<1>,3|C<3>}	127.5778	2.715	4	127.5778	7.370	4	127.5778	7.370	4	123.7642	10.957	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	3:4:2:	3:4:4:4:	3:3:1:	C[6a]-3:C[4]-4:N[6a]-2:	C[6a]-3:C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[4]C[4]2C)(N[6a]C[6a])	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(C[4]C[4]CH)(CCHH)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[4]C[4]2C)(N[6a]C[6a]){2|C<3>,3|C<4>,3|H<1>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(C[4]C[4]CH)(CCHH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	118.6285	0.308	2	118.6285	0.095	2	118.6285	0.095	2	118.6285	0.095	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:2:	3:3:4:3:	3:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[4]-3:C[4]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[4](C[6a]C[6a]N[6a])(N[4]C[6a]C[4])(C[4]C[4]CH)(CNO)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]N[6a])(N[4]C[6a]C[4])(C[4]C[4]CH)(CNO){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.8580	0.000	1	121.8580	0.000	1	121.8580	0.000	1	121.8580	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[4]-4:O[4]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(O[4]C[4])(H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(O[4]C[4])(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5560	0.000	1	122.3767	2.896	3	122.3767	2.896	3	122.3767	2.896	3	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[4]-4:O[4]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(O[4]C[4])(H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(O[4]C[4])(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.2870	0.905	2	122.3767	2.896	3	122.3767	2.896	3	122.3767	2.896	3	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:2:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[4](C[4,6]C[4,6]C[6]F)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	C[4](C[4,6]C[4,6]C[6]F)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]N[6a])(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0390	0.075	2	121.0390	0.006	2	120.9585	0.280	4	122.1454	7.254	5	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:2:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[4](C[4,6]C[4,6]N[6]H)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[4](C[4,6]C[4,6]N[6]H)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]N[6a])(H){1|F<1>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8780	0.899	2	120.8780	0.809	2	120.9585	0.280	4	122.1454	7.254	5	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:2:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:O[6a]-2:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(O[6a]C[6a])	C[4](C[4,6]C[4,6]O[6]C)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]O[6a])(H)	C[6a](C[6a]O[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(O[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[4](C[4,6]C[4,6]O[6]C)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]O[6a])(H){2|H<1>,6|C<3>}	C[6a](C[6a]O[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	126.8930	0.000	1	126.8930	0.000	1	126.8930	0.000	1	122.1454	7.254	5	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]C)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)(N[4]C[4]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.4560	0.030	2	120.4560	0.001	2	120.2609	0.611	12	120.2926	0.558	14	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]C)(N[4]C[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)(N[4]C[4]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.0905	0.822	8	120.2219	0.737	10	120.2609	0.611	12	120.2926	0.558	14	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]C)(N[4]C[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)(N[4]C[4]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7475	1.102	2	120.2219	0.737	10	120.2609	0.611	12	120.2926	0.558	14	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4825	0.668	2	120.4825	0.447	2	120.4825	0.447	2	120.2926	0.558	14	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-3:C[4]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)(OC){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.6808	1.381	4	120.6808	1.906	4	120.6808	1.906	4	120.4483	3.988	11	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-3:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]O[4])(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]N[4]O)(O[4]N[4])	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]O[4])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)2(C[4]N[4]O)(O[4]N[4]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	119.8740	2.231	4	119.8740	4.978	4	120.3154	5.637	7	120.4483	3.988	11	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-3:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]O[4])(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]Si[4]C)(O[4]Si[4])	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]O[4])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[4](C[6a]C[6a]2)2(C[4]Si[4]C)(O[4]Si[4]){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9040	2.922	3	120.9040	8.535	3	120.3154	5.637	7	120.4483	3.988	11	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-3:C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[6a]C[4])(C[6a]C[6a]H)2	C[4](C[4,6]N[4,6]N[6])(C[4]N[4,6]C)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[6a]C[4])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[4](C[4,6]N[4,6]N[6])(C[4]N[4,6]C)(C[6a]C[6a]2)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.4938	2.281	4	120.4938	5.202	4	120.4938	5.202	4	120.9917	2.242	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]C[4]C)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)2(C[4]C[4]C)2{4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.3980	1.447	4	121.2406	1.081	8	121.2406	1.081	8	120.9917	2.242	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]C[4]C)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[4](C[6a]C[6a]2)2(C[4]C[4]C)2{4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.0832	0.602	4	121.2406	1.081	8	121.2406	1.081	8	120.9917	2.242	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:Se[4]-3:Se[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]Se[4]2C)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(Se[4]C[4]O)2(CC3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]Se[4]2C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[4](C[6a]C[6a]2)(Se[4]C[4]O)2(CC3){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|Se<3>,1|C<3>,1|C<4>,2|H<1>}	120.7120	1.447	4	120.7120	2.095	4	120.7120	2.095	4	120.7120	2.095	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[4](N[4]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7695	0.600	2	120.7695	0.360	2	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CC)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8167	1.468	4	120.7431	5.463	8	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CC)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6255	3.146	2	120.7431	5.463	8	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CC)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7135	4.672	2	120.7431	5.463	8	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9754	2.291	10	120.9016	3.957	16	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4980	1.281	2	120.9016	3.957	16	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9190	1.833	4	120.9016	3.957	16	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CO)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0760	2.284	2	121.0760	5.216	2	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|F<1>,3|C<3>,3|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8650	0.000	2	121.8650	0.000	2	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7635	1.148	2	120.3306	1.565	14	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6420	0.789	2	120.3306	1.565	14	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|F<1>,3|C<3>,3|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.5040	0.000	2	120.3306	1.565	14	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8095	1.310	4	120.3306	1.565	14	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3930	1.301	4	120.3306	1.565	14	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]C)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3340	0.000	1	121.3340	0.000	1	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|Ir<8>,1|O<2>,2|H<1>,3|C<3>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8400	0.000	1	120.6978	1.706	14	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.5440	0.489	2	120.6978	1.706	14	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.3750	0.000	1	120.6978	1.706	14	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8800	1.383	2	120.6978	1.706	14	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5960	1.648	2	120.6978	1.706	14	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.2660	1.790	4	120.6978	1.706	14	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.2250	1.765	2	120.6978	1.706	14	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Ir)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|Ir<8>,1|O<2>,2|H<1>,3|C<3>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Ir)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.0560	0.000	1	118.0560	0.000	1	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7695	0.012	2	119.7695	0.000	2	120.6632	2.628	62	120.6632	2.628	62	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]C[4]CC)(C[4]C[4]C)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{2|C<2>,2|H<1>,5|C<3>}	C[4](C[6a]C[6a]2)2(C[4]C[4]CC)(C[4]C[4]C){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.2990	1.036	4	121.1532	1.659	8	120.7954	1.267	16	120.7954	1.267	16	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]C[4]CC)(C[4]C[4]C)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{2|C<2>,2|H<1>,5|C<3>}	C[4](C[6a]C[6a]2)2(C[4]C[4]CC)(C[4]C[4]C){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.0075	1.656	4	121.1532	1.659	8	120.7954	1.267	16	120.7954	1.267	16	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]C[4]HH)(C[4]C[4]N)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Cl)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)2(C[4]C[4]HH)(C[4]C[4]N){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Cl)(H){1|C<4>,2|H<1>,3|C<3>}	121.7350	0.000	1	121.7350	0.000	1	120.7954	1.267	16	120.7954	1.267	16	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]C[4]HH)(C[4]C[4]N)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)2(C[4]C[4]HH)(C[4]C[4]N){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7630	0.420	2	120.2260	0.953	3	120.7954	1.267	16	120.7954	1.267	16	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]C[4]HH)(C[4]C[4]N)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)2(C[4]C[4]HH)(C[4]C[4]N){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.1520	0.000	1	120.2260	0.953	3	120.7954	1.267	16	120.7954	1.267	16	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]N[4]HO)(C[4]N[4]O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)2(C[4]N[4]HO)(C[4]N[4]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.2717	0.711	4	120.2717	0.506	4	120.7954	1.267	16	120.7954	1.267	16	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]C[4]CH)(C[4]C[4]HH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,5|H<1>}	C[4](C[6a]C[6a]2)2(C[4]C[4]CH)(C[4]C[4]HH){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9155	1.935	4	120.9155	3.743	4	121.1061	2.005	20	121.0815	2.430	22	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]C[4]HH)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,6|H<1>}	C[4](C[6a]C[6a]2)2(C[4]C[4]HH)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0607	1.122	8	121.1538	1.779	16	121.1061	2.005	20	121.0815	2.430	22	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]C[4]HH)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{4|C<3>,6|H<1>}	C[4](C[6a]C[6a]2)2(C[4]C[4]HH)2{4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4365	2.316	4	121.1538	1.779	16	121.1061	2.005	20	121.0815	2.430	22	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)2(C[4]C[4]HH)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{4|C<3>,6|H<1>}	C[4](C[6a]C[6a]2)2(C[4]C[4]HH)2{4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	121.0572	0.671	4	121.1538	1.779	16	121.1061	2.005	20	121.0815	2.430	22	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:C[4]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CS)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[4](N[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CS)(CCHH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8355	3.577	2	120.8355	12.797	2	120.8355	12.797	2	121.0815	2.430	22	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4])(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.6922	0.937	6	120.6922	0.877	6	120.6922	0.877	6	120.6370	1.011	8	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:O[4]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CO)(O[4]C[4])(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CO)(O[4]C[4])(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4715	1.617	2	120.4715	2.615	2	120.4715	2.615	2	120.6370	1.011	8	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:O[4]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]C)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(O[4]C[4])(CF3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(O[4]C[4])(CF3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2125	0.304	4	120.2649	0.108	8	120.2649	0.108	8	120.2649	0.108	8	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:O[4]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]C)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(O[4]C[4])(CF3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(O[4]C[4])(CF3){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3173	0.390	4	120.2649	0.108	8	120.2649	0.108	8	120.2649	0.108	8	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-3:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.7450	2.346	2	120.8560	1.922	4	120.8560	1.922	4	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-3:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9670	0.461	2	120.8560	1.922	4	120.8560	1.922	4	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]F)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]S)(F)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]F)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]S)(F){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.1110	0.006	2	120.1110	0.000	2	120.1110	0.000	2	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]H)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.1170	0.000	1	120.1170	0.000	1	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.1063	0.843	14	122.1063	0.711	14	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(N[4]C[4]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4230	1.986	2	120.6937	2.425	4	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(N[4]C[4]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9645	1.743	2	120.6937	2.425	4	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2435	0.648	2	120.9508	2.383	10	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3780	1.205	2	120.9508	2.383	10	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5875	2.410	4	120.9508	2.383	10	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.9575	1.037	2	120.9508	2.383	10	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]H)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9595	1.313	2	120.9595	1.724	2	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]S)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]S)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5534	1.874	8	120.4656	6.466	14	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]S)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]S)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5955	1.006	2	120.4656	6.466	14	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]S)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]S)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2253	4.402	4	120.4656	6.466	14	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7535	0.628	4	120.7535	0.395	4	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]S)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]S)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.6077	2.581	4	119.6077	6.661	4	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HN)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HN)(N[4]C[4]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5505	2.090	2	120.6317	1.569	4	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HN)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HN)(N[4]C[4]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7130	0.561	2	120.6317	1.569	4	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6590	0.000	1	120.7067	2.250	3	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.7305	2.121	2	120.7067	2.250	3	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0760	0.000	1	121.0760	0.000	1	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]H)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6345	2.790	2	120.6873	4.082	4	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]H)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.7400	2.110	2	120.6873	4.082	4	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]OO)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[4](C[6a]C[6a]2)(C[4]C[4]OO)(N[4]C[4]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8660	2.628	6	120.8660	6.908	6	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]N[4]HH)(N[4]N[4]S)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]N[4]HH)(N[4]N[4]S)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.3160	0.839	2	120.3160	0.703	2	120.9051	3.243	73	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:O[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]B[4]CH)(O[4]B[4]Li)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)2{1|Li<4>,1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]B[4]CH)(O[4]B[4]Li)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<3>,2|H<1>}	120.9200	2.592	2	120.9200	6.720	2	120.9200	6.720	2	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:S[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]S[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(S[4]C[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]S[4]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(S[4]C[4]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	120.8380	0.164	2	120.8380	0.027	2	120.8380	0.027	2	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	Ge[4]-3:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]Ge[4]C[4]H)(C[6a]C[6a]H)2	C[4](Ge[4]C[6a]Ge[4])(C[4]Ge[4]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]Ge[4]C[4]H)(C[6a]C[6a]H)2{1|Ge<3>,2|C<3>,4|H<1>}	C[4](Ge[4]C[6a]Ge[4])(C[4]Ge[4]HH)(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,3|H<1>}	121.0280	0.304	2	121.0280	0.092	2	121.0280	0.092	2	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[4]C[4]Cl2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{2|Cl<1>,2|H<1>,3|C<3>}	C[4](N[4]C[6a]C[4])(C[4]C[4]Cl2)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3688	1.141	4	121.0820	1.840	8	121.0820	1.840	8	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[4]C[4]Cl2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{2|Cl<1>,2|H<1>,3|C<3>}	C[4](N[4]C[6a]C[4])(C[4]C[4]Cl2)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4790	1.049	2	121.0820	1.840	8	121.0820	1.840	8	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[4]C[4]Cl2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{2|Cl<1>,2|H<1>,3|C<3>}	C[4](N[4]C[6a]C[4])(C[4]C[4]Cl2)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1115	2.611	2	121.0820	1.840	8	121.0820	1.840	8	120.9026	2.832	93	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7052	1.054	14	119.7052	1.110	14	119.7052	1.110	14	119.7052	1.110	14	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]H)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.9420	0.000	1	123.9420	0.000	1	123.9420	0.000	1	123.9420	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-3:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]CH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]CH)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5825	2.138	2	120.5825	4.569	2	120.6301	3.923	10	120.5895	1.003	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-3:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[6a]C[6a]2)(OC){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6420	2.095	8	120.6420	4.391	8	120.6301	3.923	10	120.5895	1.003	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6a]C[4]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6a]C[4]O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.5480	0.066	2	119.5480	0.004	2	120.9836	0.807	10	120.5895	1.003	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6a]C[4]O)(C[6a]C[6a]H)2	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6a]C[4]O)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.5037	0.482	4	121.5037	0.232	4	120.9836	0.807	10	120.5895	1.003	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6a]C[4]O)(C[6a]C[6a]H)2	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6a]C[4]O)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]HH)(C[6a]C[6a]2)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1813	0.633	4	121.1813	0.400	4	120.9836	0.807	10	120.5895	1.003	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[4]-4:C[4]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]S[4]C)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(S[4]N[4]OO)(C[4]N[4]N)(CN)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]S[4]C)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<1>}	C[4](C[6a]C[6a]2)(S[4]N[4]OO)(C[4]N[4]N)(CN){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	120.4402	0.314	29	120.4402	0.099	29	120.4402	0.099	29	120.5895	1.003	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]O)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[4]C[4]Cl2)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]O)(C[6a]C[6a]H)2{2|Cl<1>,2|H<1>,3|C<3>}	C[4](N[4]C[6a]C[4])(C[4]C[4]Cl2)(C[6a]C[6a]2)(OC){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4655	2.081	2	120.4655	4.331	2	120.5868	1.328	6	120.5895	1.003	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]O)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[4]C[4]ClC)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]O)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[4](N[4]C[6a]C[4])(C[4]C[4]ClC)(C[6a]C[6a]2)(OC){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6475	0.869	4	120.6475	0.755	4	120.5868	1.328	6	120.5895	1.003	55	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[4]C[4,6a]C[4]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO)	C[6a](C[4]C[4,6a]C[4]O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.0525	0.262	2	123.0525	0.069	2	123.0525	0.069	2	123.0525	0.069	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:C-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]C)(COO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]C)(COO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.1730	0.000	1	123.1730	0.000	1	123.1730	0.000	1	120.9308	3.129	6	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]C)(COO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]C)(COO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.3400	0.000	1	120.3400	0.000	1	120.4824	2.403	5	120.9308	3.129	6	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]C)(CN[4]O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]C)(CN[4]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5180	1.788	4	120.5180	3.196	4	120.4824	2.403	5	120.9308	3.129	6	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6a]C[4]C)(C[6a]C[6a]H)2	C[4](C[4,6a]C[6a,6a]C[4,6a])(C[4]C[4,6a]HH)(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6a]C[4]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[4](C[4,6a]C[6a,6a]C[4,6a])(C[4]C[4,6a]HH)(C[6a]C[6a]2)(CCCH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2020	0.471	2	121.2020	0.222	2	121.2020	0.222	2	120.9514	1.969	22	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]C)(CCCO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]C)(CCCO){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9205	1.027	4	120.9205	1.055	4	120.9570	2.295	18	120.9514	1.969	22	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]C)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]C)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7784	1.237	8	120.7784	1.531	8	120.9570	2.295	18	120.9514	1.969	22	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]C)(CC[6a]2O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]C)(CC[6a]2O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.6025	4.409	2	121.6025	19.438	2	120.9570	2.295	18	120.9514	1.969	22	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]C)(CH3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HO)(N[4]C[4]C)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0280	1.235	4	121.0280	1.525	4	120.9570	2.295	18	120.9514	1.969	22	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4]-3:C[4]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2	C[4](N[4]C[6a]C[4])(C[4]C[4]Cl2)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2{2|Cl<1>,2|H<1>,3|C<3>}	C[4](N[4]C[6a]C[4])(C[4]C[4]Cl2)(C[6a]C[6a]2)(CCHH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6500	1.344	2	120.6500	1.805	2	120.6500	1.805	2	120.9514	1.969	22	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]BC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]BC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	120.0290	0.000	1	120.0290	0.000	1	120.7084	2.029	7	120.7084	2.029	7	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[6a]C[6a]2)(C[4]B[4]HH)(N[4]B[4]CC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,2|C<4>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]B[4]HH)(N[4]B[4]CC)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.8217	1.525	6	120.8217	2.327	6	120.7084	2.029	7	120.7084	2.029	7	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	3:4:4:1:	3:3:4:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[4]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]BC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,4|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]BC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	121.5330	0.000	1	121.5330	0.000	1	121.5330	0.000	1	121.5330	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:2:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	Si[4,5]-4:O[4]-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]Si[4,5]C[6a]O[4])(C[6a]C[6a]H)2	C[4](Si[4,5]Si[4,4,5]C[5,6a]N)(O[4]Si[4,4,5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]Si[4,5]C[6a]O[4])(C[6a]C[6a]H)2{1|Si<5>,1|N<3>,2|H<1>,4|C<3>}	C[4](Si[4,5]Si[4,4,5]C[5,6a]N)(O[4]Si[4,4,5])(C[6a]C[6a]2)2{2|N<3>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	120.7502	0.425	4	120.7502	0.181	4	120.7502	0.181	4	120.7502	0.181	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:O[4]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]O[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]N[6]H)(C[6a]C[6a]2)(O[4]C[4,6])(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]O[4]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[4](C[4,6]C[4,6]N[6]H)(C[6a]C[6a]2)(O[4]C[4,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.3590	0.000	1	121.3720	4.266	3	120.4105	6.542	4	120.1368	3.913	14	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:O[4]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]O[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]N[6]H)(C[6a]C[6a]2)(O[4]C[4,6])(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]O[4]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[4](C[4,6]C[4,6]N[6]H)(C[6a]C[6a]2)(O[4]C[4,6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3785	1.616	2	121.3720	4.266	3	120.4105	6.542	4	120.1368	3.913	14	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:O[4]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]O[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]N[6]H)(C[6a]C[6a]2)(O[4]C[4,6])(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[4]C[4,6]O[4]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[4](C[4,6]C[4,6]N[6]H)(C[6a]C[6a]2)(O[4]C[4,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.5260	0.000	1	117.5260	0.000	1	120.4105	6.542	4	120.1368	3.913	14	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:O[4]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.5300	0.246	2	119.5300	0.061	2	120.0273	3.425	10	120.1368	3.913	14	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:O[4]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[6a]2C[4])(C[6a]C[6a]2)(O[4]C[4])(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[4](C[4]C[6a]2C[4])(C[6a]C[6a]2)(O[4]C[4])(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.0735	1.911	2	120.0735	3.653	2	120.0273	3.425	10	120.1368	3.913	14	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:O[4]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.0180	3.523	2	120.0180	12.410	2	120.0273	3.425	10	120.1368	3.913	14	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:O[4]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(O[4]C[4])(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(O[4]C[4])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2575	2.160	4	120.2575	4.664	4	120.0273	3.425	10	120.1368	3.913	14	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:O[4]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.7225	0.675	2	123.7225	0.456	2	123.7225	0.456	2	123.7225	0.456	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:O[4]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]O)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]C[6])(C[6a]C[6a]2)(O[4]C[4])(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]C[6])(C[6a]C[6a]2)(O[4]C[4])(OC){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	120.8405	1.657	2	120.8405	2.745	2	120.8405	2.745	2	120.8405	2.745	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[4]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]O[4]C)(C[6a]C[6a]H)2	C[4](C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2)(O[4]C[4,5])(COO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]O[4]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[4](C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2)(O[4]C[4,5])(COO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1565	0.092	4	120.1565	0.008	4	120.3668	0.112	6	120.3668	0.112	6	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:O[4]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]O[4]C)(C[6a]C[6a]H)2	C[4](C[4,5]C[5,6a]C[4,5]C)(C[6a]C[6a]2)(O[4]C[4,5])(CC[6a]O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]O[4]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[4](C[4,5]C[5,6a]C[4,5]C)(C[6a]C[6a]2)(O[4]C[4,5])(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7875	0.064	2	120.7875	0.004	2	120.3668	0.112	6	120.3668	0.112	6	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:O[4]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]C)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(CF3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.4805	0.162	2	120.4805	0.026	2	120.5678	0.418	12	120.5678	0.418	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:O[4]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]C)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(O[4]C[4])(CCFF)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(O[4]C[4])(CCFF){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.5440	1.078	2	120.5440	1.161	2	120.5678	0.418	12	120.5678	0.418	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:O[4]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]C)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(O[4]C[4])(CF3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(O[4]C[4])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.6997	0.744	4	120.6997	0.553	4	120.5678	0.418	12	120.5678	0.418	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:O[4]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]C)(C[6a]C[6a]H)2	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(O[4]N[4])(CHHO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(O[4]N[4])(CHHO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.4913	0.740	4	120.4913	0.547	4	120.5678	0.418	12	120.5678	0.418	12	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[3,4]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[3,4]N[4]H)(C[6a]C[6a]H)2	C[4](C[3,4]C[3]2C[4])(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[3,4]N[4]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[4](C[3,4]C[3]2C[4])(N[4]C[6a]C[4])(C[6a]C[6a]2)(H){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8355	0.401	2	120.8355	0.161	2	120.8355	0.161	2	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4,5]C[5]Cl)(C[4]C[4,5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[4](C[4,5]C[4,5]C[5]Cl)(C[4]C[4,5]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9180	2.128	2	120.9180	4.530	2	121.0016	1.701	10	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0680	0.585	2	121.1135	0.851	4	121.0016	1.701	10	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]C)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1590	1.484	2	121.1135	0.851	4	121.0016	1.701	10	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]C[5,6a]2C[4])(C[4]C[4]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[4](C[4,5]C[5,6a]2C[4])(C[4]C[4]C[5])(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5775	2.758	2	120.5775	7.609	2	121.0016	1.701	10	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]N[4,5]C[5]H)(C[4]N[4,5]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[4](C[4,5]N[4,5]C[5]H)(C[4]N[4,5]O)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2855	0.183	2	121.2855	0.034	2	121.0016	1.701	10	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]Cl)(C[6a]C[6a]H)2	C[4](C[4,5]C[5]N[4]S[5])(C[6a]C[6a]2)(C[4]N[4]O)(Cl)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]Cl)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[4](C[4,5]C[5]N[4]S[5])(C[6a]C[6a]2)(C[4]N[4]O)(Cl){1|Cl<1>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.2240	0.423	2	120.2240	0.179	2	120.2240	0.179	2	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]C[5,6a]C[5]N[4])(C[6a]C[6a]2)(C[4]N[4]O)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[4](C[4,5]C[5,6a]C[5]N[4])(C[6a]C[6a]2)(C[4]N[4]O)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9845	1.145	12	120.9845	1.311	12	120.9845	1.311	12	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]N[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4]C[5]N[5])(C[6a]C[6a]2)(N[4]C[4]S)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]N[4]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[4]C[5]N[5])(C[6a]C[6a]2)(N[4]C[4]S)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4955	3.767	2	120.4955	14.188	2	120.5820	5.876	4	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]N[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]P[4,5]C[6a]C[5])(C[6a]C[6a]2)(N[4]P[4,5]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]N[4]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[4](C[4,5]P[4,5]C[6a]C[5])(C[6a]C[6a]2)(N[4]P[4,5]C)(H){1|O<1>,1|P<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6685	1.846	2	120.6685	3.409	2	120.5820	5.876	4	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[4](C[4,5]C[4]C[5]O[5])(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Cl)(H)	C[6a](C[4]C[4,5]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[4](C[4,5]C[4]C[5]O[5])(N[4]C[6a]C[4])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.3730	5.161	3	120.3730	26.638	3	120.3730	26.638	3	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]N[4,6]C[6]H)(C[4]N[4,6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[4](C[4,6]N[4,6]C[6]H)(C[4]N[4,6]O)(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[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6065	1.187	2	120.6065	1.410	2	120.6065	1.410	2	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]N[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[6,6a]2C[4])(C[6a]C[6a]2)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]N[4]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[4](C[4,6]C[6,6a]2C[4])(C[6a]C[6a]2)(N[4]C[4]C)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.8600	0.000	1	119.8600	0.000	1	120.8070	1.794	2	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]N[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[6,6a]2C[4])(C[6a]C[6a]2)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H)	C[6a](C[4]C[4,6]N[4]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[4](C[4,6]C[6,6a]2C[4])(C[6a]C[6a]2)(N[4]C[4]C)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.7540	0.000	1	121.7540	0.000	1	120.8070	1.794	2	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:N[4,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]N[4,5]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,5,6,6]C[6]H)(N[4,5]C[4,5,6,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]N[4,5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[4](C[4,6]C[4,5,6,6]C[6]H)(N[4,5]C[4,5,6,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4775	1.992	2	120.4775	3.968	2	120.4775	3.968	2	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[4](C[4,6]C[6,6a]2C[4])(N[4]C[4]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[4](C[4,6]C[6,6a]2C[4])(N[4]C[4]N[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.9810	0.000	1	119.9810	0.000	1	119.9810	0.000	1	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(N[4]C[4]C)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(N[4]C[4]C)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.3990	0.000	1	122.3990	0.000	1	120.8699	4.714	17	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[3]C[4]Br)(C[6a]C[6a]2)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[4](C[4]C[3]C[4]Br)(C[6a]C[6a]2)(N[4]C[4]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5600	2.507	4	120.5600	6.285	4	120.8699	4.714	17	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[5]O[4]C)(C[6a]C[6a]2)(N[4]O[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[4](C[4]C[5]O[4]C)(C[6a]C[6a]2)(N[4]O[4]C)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5280	2.728	2	120.5280	7.442	2	120.8699	4.714	17	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[6a]2C[4])(C[6a]C[6a]2)(N[4]C[4]S)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]2C[4])(C[6a]C[6a]2)(N[4]C[4]S)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0690	3.055	2	121.0690	9.331	2	120.8699	4.714	17	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(N[4]C[4]S)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(N[4]C[4]S)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6235	2.590	2	120.6235	6.709	2	120.8699	4.714	17	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(N[4]C[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(N[4]C[4]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3450	1.693	2	121.3450	2.866	2	120.8699	4.714	17	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[6a]O[4]C)(C[6a]C[6a]2)(N[4]O[4]C)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[4](C[4]C[6a]O[4]C)(C[6a]C[6a]2)(N[4]O[4]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7545	2.976	4	120.7545	8.856	4	120.8699	4.714	17	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[4]C[5]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[4](C[4]C[4]C[5]H)(N[4]C[6a]C[4])(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[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8310	2.564	4	120.8310	6.576	4	120.7336	2.933	29	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[4]N[5]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[4](C[4]C[4]N[5]H)(N[4]C[6a]C[4])(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[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5440	3.199	2	120.6828	5.555	6	120.7336	2.933	29	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[4]N[5]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[4](C[4]C[4]N[5]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7070	2.840	2	120.6828	5.555	6	120.7336	2.933	29	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[4]N[5]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[4](C[4]C[4]N[5]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7975	3.068	2	120.6828	5.555	6	120.7336	2.933	29	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[5a]C[4]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[4](C[4]C[5a]C[4]H)(N[4]C[6a]C[4])(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[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0877	0.352	3	121.0877	0.124	3	120.7336	2.933	29	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8503	0.956	6	120.7023	2.059	10	120.7336	2.933	29	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4802	2.132	4	120.7023	2.059	10	120.7336	2.933	29	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]S)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]S)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9275	1.907	2	120.6358	3.391	4	120.7336	2.933	29	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]S)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]S)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3440	2.489	2	120.6358	3.391	4	120.7336	2.933	29	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]N[5a]C[4]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[4](C[4]N[5a]C[4]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5120	2.256	2	120.5120	5.088	2	120.7336	2.933	29	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]Si[4]C[4]H)(C[6a]C[6a]H)2	C[4](Si[4]C[4]SiN)(C[6a]C[6a]2)(C[4]C[4]H)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]Si[4]C[4]H)(C[6a]C[6a]H)2{1|Si<4>,1|N<2>,2|C<3>,3|H<1>}	C[4](Si[4]C[4]SiN)(C[6a]C[6a]2)(C[4]C[4]H)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,3|H<1>}	121.1965	1.964	2	121.1965	3.856	2	121.1965	3.856	2	120.7892	3.105	89	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[4]C[4,5]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[4](C[4,5]C[4]C[5]O[5])(N[4]C[6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a])	C[6a](C[4]C[4,5]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[4](C[4,5]C[4]C[5]O[5])(N[4]C[6a]C[4])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8560	5.567	3	121.8560	30.989	3	121.8560	30.989	3	121.8560	30.989	3	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:N[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[4]C[4,6]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[4](C[4,6]C[6,6a]2C[4])(N[4]C[4]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	C[6a](C[4]C[4,6]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[4](C[4,6]C[6,6a]2C[4])(N[4]C[4]N[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.5990	0.000	1	124.5990	0.000	1	124.5990	0.000	1	124.5990	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C)(C[6a]C[6a]2)(OH){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9155	1.225	2	120.9155	1.502	2	120.5854	0.992	8	120.7548	1.298	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2	C[4](C[4,6]N[4,6]C[6]H)(C[4]N[4,6]O)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[4](C[4,6]N[4,6]C[6]H)(C[4]N[4,6]O)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4753	1.015	6	120.4753	1.030	6	120.5854	0.992	8	120.7548	1.298	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:C[6a]-3:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[6a]O[4])(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]C)(C[6a]C[6a]2)2(O[4]C[4,6])	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[6a]O[4])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[4](C[4,6]C[4,6]C[6]C)(C[6a]C[6a]2)2(O[4]C[4,6]){1|C<4>,1|O<1>,2|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8505	0.459	4	120.8794	1.186	8	120.8794	1.186	8	120.7548	1.298	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:C[6a]-3:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[6a]O[4])(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]C)(C[6a]C[6a]2)2(O[4]C[4,6])	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[6a]O[4])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[4](C[4,6]C[4,6]C[6]C)(C[6a]C[6a]2)2(O[4]C[4,6]){1|O<1>,2|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9083	1.598	4	120.8794	1.186	8	120.8794	1.186	8	120.7548	1.298	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[4,6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2	C[4](C[4]C[4,6]C[6a]H)(C[4,6]C[4,6]C[6])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[4](C[4]C[4,6]C[6a]H)(C[4,6]C[4,6]C[6])(C[6a]C[6a]2)(OC){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7375	2.152	4	120.7375	4.632	4	120.7375	4.632	4	120.7548	1.298	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[4]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(N[4]C[4]C)(CC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(N[4]C[4]C)(CC){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7870	1.352	2	120.7870	1.828	2	120.7870	1.828	2	120.7548	1.298	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]S)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]C)(N[4]C[6a]C[4])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]S)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]C)(N[4]C[6a]C[4])(C[6a]C[6a]2)(SC){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	120.4065	0.824	2	120.4065	0.679	2	120.4065	0.679	2	120.7548	1.298	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	Ge[4,5]-4:C[6a]-3:C[6a]-3:O[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]Ge[4,5]C[6a]O[4])(C[6a]C[6a]H)2	C[4](Ge[4,5]Si[4,5]Si[5]Si)(C[6a]C[6a]2)2(O[4]Si[4,5])	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]Ge[4,5]C[6a]O[4])(C[6a]C[6a]H)2{3|Si<4>,2|H<1>,3|C<3>}	C[4](Ge[4,5]Si[4,5]Si[5]Si)(C[6a]C[6a]2)2(O[4]Si[4,5]){5|Si<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<4>,1|O<2>,2|C<3>,2|H<1>}	121.0198	0.918	4	121.0198	0.843	4	121.0198	0.843	4	120.7548	1.298	28	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:2:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[4]C[4,6]C[4]C)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[4](C[4,6]C[6,6a]N[4,6]H)(C[4]N[4,6]O)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	C[6a](C[4]C[4,6]C[4]C)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[4](C[4,6]C[6,6a]N[4,6]H)(C[4]N[4,6]O)(C[6a]C[6a]2)(COO){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<4>,2|H<1>,3|C<3>}	120.2530	0.000	1	120.2530	0.000	1	120.2530	0.000	1	120.2530	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[6a]C[4])(C[6a]C[6a]H)2	C[4](C[4,5]C[5,6a]C[5]N[4])(C[6a]C[6a]2)2(C[4]N[4]O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[6a]C[4])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[4](C[4,5]C[5,6a]C[5]N[4])(C[6a]C[6a]2)2(C[4]N[4]O){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5712	2.307	4	120.8439	2.540	12	120.8439	2.540	12	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[6a]C[4])(C[6a]C[6a]H)2	C[4](C[4,5]C[5,6a]C[5]N[4])(C[6a]C[6a]2)2(C[4]N[4]O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[6a]C[4])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[4](C[4,5]C[5,6a]C[5]N[4])(C[6a]C[6a]2)2(C[4]N[4]O){1|N<2>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2185	1.815	4	120.8439	2.540	12	120.8439	2.540	12	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[6a]C[4])(C[6a]C[6a]H)2	C[4](C[4,5]C[5,6a]C[5]N[4])(C[6a]C[6a]2)2(C[4]N[4]O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[6a]C[4])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[4](C[4,5]C[5,6a]C[5]N[4])(C[6a]C[6a]2)2(C[4]N[4]O){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7420	0.630	4	120.8439	2.540	12	120.8439	2.540	12	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]C)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[4](C[4,6]C[6,6a]N[4,6]H)(C[4]N[4,6]O)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]C)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[4](C[4,6]C[6,6a]N[4,6]H)(C[4]N[4,6]O)(C[6a]C[6a]2)(COO){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.2100	0.000	1	122.2100	0.000	1	122.2100	0.000	1	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[4]C[6a]2N[4])(C[6a]C[6a]2)2(C[4]N[4]O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[4](C[4]C[6a]2N[4])(C[6a]C[6a]2)2(C[4]N[4]O){1|Re<6>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3432	1.682	4	121.1638	1.624	12	120.8646	1.784	20	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[4]C[6a]2N[4])(C[6a]C[6a]2)2(C[4]N[4]O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[4](C[4]C[6a]2N[4])(C[6a]C[6a]2)2(C[4]N[4]O){4|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0741	1.145	8	121.1638	1.624	12	120.8646	1.784	20	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)2(C[4]N[4]O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)2(C[4]N[4]O){1|S<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.4990	0.862	4	120.4990	0.742	4	120.8646	1.784	20	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)2(C[4]O[4]O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[4](C[4]C[6a]O[4]H)(C[6a]C[6a]2)2(C[4]O[4]O){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.3325	1.920	4	120.3325	3.688	4	120.8646	1.784	20	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]N[4])(C[6a]C[6a]H)2	C[4](C[4]C[6a]2C[4])(C[6a]C[6a]2)2(N[4]C[4]Re)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]N[4])(C[6a]C[6a]H)2{1|Re<6>,2|H<1>,6|C<3>}	C[4](C[4]C[6a]2C[4])(C[6a]C[6a]2)2(N[4]C[4]Re){1|O<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2260	1.291	4	121.2260	1.666	4	121.2260	1.666	4	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[4]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(N[4]C[4]C)(CCH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(N[4]C[4]C)(CCH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7960	1.788	2	120.7960	3.195	2	120.7960	3.195	2	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]N[4])(C[6a]C[6a]H)2	C[4](C[4]C[6a]2C[4])(N[4]C[6a]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]N[4])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[4](C[4]C[6a]2C[4])(N[4]C[6a]C[4])(C[6a]C[6a]2)2{10|C<3>,1|O<1>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0374	1.988	8	121.0374	3.953	8	121.0973	4.063	16	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]C[4]N[4])(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]C[4]N[4])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[4](C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)2{1|O<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.1571	2.178	8	121.1571	4.745	8	121.0973	4.063	16	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[6a]Si[4]C[4])(C[6a]C[6a]H)2	C[4](Si[4]C[4]CC)(C[6a]C[6a]2)2(C[4]C[4]Si)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[6a]Si[4]C[4])(C[6a]C[6a]H)2{1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[4](Si[4]C[4]CC)(C[6a]C[6a]2)2(C[4]C[4]Si){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	121.1257	2.069	4	121.1257	4.279	4	121.1257	4.279	4	120.9862	2.525	59	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]C)(C[6a]C[6a]H)2	C[4](C[4,5]C[5,6a]C[5]N[4])(C[6a]C[6a]2)(C[4]N[4]O)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[4](C[4,5]C[5,6a]C[5]N[4])(C[6a]C[6a]2)(C[4]N[4]O)(CCHH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6255	1.377	2	120.6255	1.895	2	120.6255	1.895	2	120.9698	1.029	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:N[4]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2	C[4](C[4]C[4]N[5]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[4](C[4]C[4]N[5]H)(N[4]C[6a]C[4])(C[6a]C[6a]2)(CCHH){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.3140	0.847	2	121.3140	0.718	2	121.3140	0.718	2	120.9698	1.029	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:P[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]B[4]P[4]H)(C[6a]C[6a]H)2	C[4](B[4]C[6a]2N[4])(C[6a]C[6a]2)(P[4]N[4]CC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]B[4]P[4]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[4](B[4]C[6a]2N[4])(C[6a]C[6a]2)(P[4]N[4]CC)(H){1|Si<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	121.4145	4.785	2	121.4145	22.896	2	121.4145	22.896	2	120.7407	6.832	19	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,4]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,4]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,4]C[4]2N[4])(C[6a]C[6a]2)(C[4]N[4]CH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,4]C[4]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[4](C[4,4]C[4]2N[4])(C[6a]C[6a]2)(C[4]N[4]CH)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7925	1.860	2	120.7925	3.461	2	120.7925	3.461	2	120.7407	6.832	19	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-4:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]Cl)(C[6a]C[6a]H)2	C[4](C[4,5]C[5,6a]C[5]O[4])(C[6a]C[6a]2)(C[4]O[4]HH)(Cl)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]Cl)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[4](C[4,5]C[5,6a]C[5]O[4])(C[6a]C[6a]2)(C[4]O[4]HH)(Cl){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	120.6310	1.492	2	120.6310	2.226	2	120.6310	2.226	2	120.7407	6.832	19	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.5890	0.000	1	119.5890	0.000	1	119.5890	0.000	1	120.7407	6.832	19	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(N[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(N[4]C[4]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.8407	2.748	4	120.8407	7.550	4	120.8407	7.550	4	120.7407	6.832	19	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	N[4,6]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]N[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](N[4,6]B[4]C[6]2)(C[6a]C[6a]2)(C[4]B[4]CC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]N[4,6]C[4]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,2|H<1>,4|C<4>}	C[4](N[4,6]B[4]C[6]2)(C[6a]C[6a]2)(C[4]B[4]CC)(H){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	121.2415	4.451	2	121.2415	19.814	2	121.2415	19.814	2	120.7407	6.832	19	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	S[4,5]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]S[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](S[4,5]C[5,6a]N[4]O[5])(C[6a]C[6a]2)(C[4]N[4]CC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]S[4,5]C[4]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[4](S[4,5]C[5,6a]N[4]O[5])(C[6a]C[6a]2)(C[4]N[4]CC)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	120.4603	3.289	4	120.4603	10.817	4	120.4603	10.817	4	120.7407	6.832	19	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	Se[4,5]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]Se[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](Se[4,5]C[5,6a]N[4]O[5])(C[6a]C[6a]2)(C[4]N[4]CC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]Se[4,5]C[4]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[4](Se[4,5]C[5,6a]N[4]O[5])(C[6a]C[6a]2)(C[4]N[4]CC)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Se<4>,1|C<3>,1|C<4>,3|H<1>}	120.5605	4.035	2	120.5605	16.285	2	120.5605	16.285	2	120.7407	6.832	19	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:4:1:	3:3:4:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]HH)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,3|H<1>}	122.1780	0.000	1	122.1780	0.000	1	122.1780	0.000	1	122.1780	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:C[4]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]2C[6])(C[6a]C[6a]H)2	C[4](C[4]C[6a]O[4]O)(C[6a]C[6a]2)(C[4]O[4]HH)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]2C[6])(C[6a]C[6a]H)2{2|O<2>,4|C<3>,4|H<1>}	C[4](C[4]C[6a]O[4]O)(C[6a]C[6a]2)(C[4]O[4]HH)(C[6]C[6]2){1|C<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1480	2.851	2	121.1480	8.129	2	121.1480	8.129	2	121.1480	8.129	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[4,5]C[4]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[4](C[4,5]C[4]C[5]N[5])2(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1410	0.000	1	121.1410	0.000	1	120.9304	6.542	15	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4]C[5]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[4](C[4,5]C[4]C[5]2)2(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8155	3.932	2	120.8920	14.615	4	120.9304	6.542	15	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4]C[5]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[4](C[4,5]C[4]C[5]2)2(C[6a]C[6a]2)(H){2|O<1>,3|C<3>,4|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9685	5.325	2	120.8920	14.615	4	120.9304	6.542	15	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,2|N<2>,3|C<3>}	C[4](C[4,5]C[4]C[5]N[5])2(C[6a]C[6a]2)(H){2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.1910	1.139	3	120.2379	5.602	7	120.9304	6.542	15	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[4](C[4,5]C[4]C[5]N[5])2(C[6a]C[6a]2)(H){2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0230	2.902	4	120.2379	5.602	7	120.9304	6.542	15	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,2|N<2>,3|C<3>}	C[4](C[4,5]C[4]C[5]N[5])2(C[6a]C[6a]2)(H){2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.5273	1.241	3	122.5273	1.539	3	120.9304	6.542	15	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7112	0.810	4	120.7112	0.656	4	120.9094	3.525	14	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9165	2.155	4	120.9165	4.646	4	120.9094	3.525	14	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3185	2.365	2	121.3185	5.595	2	120.9094	3.525	14	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]C[4]C[5]N[5])(C[4]C[6a]C[4]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[4](C[4,5]C[4]C[5]N[5])(C[4]C[6a]C[4]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7485	3.466	2	120.7485	12.010	2	120.9094	3.525	14	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,5]N[4,5]C[5]C)(C[4]N[4,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[4]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[4](C[4,5]N[4,5]C[5]C)(C[4]N[4,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0435	3.426	2	121.0435	11.737	2	120.9094	3.525	14	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]C)(C[4]C[4,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[4](C[4,6]C[4,6]C[6]C)(C[4]C[4,6]CH)(C[6a]C[6a]2)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1760	2.940	2	121.1760	8.644	2	121.2801	4.098	36	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8850	2.074	8	120.9446	3.782	10	121.2801	4.098	36	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]2)(H){2|H<1>,3|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1830	1.945	2	120.9446	3.782	10	121.2801	4.098	36	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.0485	1.839	8	122.0485	3.383	8	121.2801	4.098	36	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[6a]O)(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0567	2.975	4	121.0567	8.850	4	121.2801	4.098	36	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HO)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HO)(C[6a]C[6a]2)(H){1|W<7>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.2440	0.214	2	118.2440	0.046	2	121.2801	4.098	36	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HO)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HO)(C[6a]C[6a]2)(H){1|W<7>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	122.4825	0.811	2	122.4825	0.658	2	121.2801	4.098	36	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]O)(C[4]C[4,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[4](C[4,6]C[4,6]C[6]O)(C[4]C[4,6]HH)(C[6a]C[6a]2)(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7865	1.241	2	121.7865	1.540	2	121.2801	4.098	36	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]N[6]C)(C[4]C[4,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[4](C[4,6]C[4,6]N[6]C)(C[4]C[4,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4410	2.010	6	121.4410	4.039	6	121.2801	4.098	36	121.1196	4.421	65	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[4,5]C[4]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	C[6a](C[4]C[4,5]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[4](C[4,5]C[4]C[5]N[5])2(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,3x6]-4:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,3x6]C[4]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[4,3x6]C[4,6,6]C[6,6]2)(C[4]C[4,6,6]CH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,3x6]C[4]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[4](C[4,3x6]C[4,6,6]C[6,6]2)(C[4]C[4,6,6]CH)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.8630	0.000	1	121.8630	0.000	1	121.8630	0.000	1	119.8623	12.204	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6,6]C[4]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[4,6,6]C[4,3x6]C[3x6]H)(C[4]C[4,3x6]CH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6,6]C[4]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[4](C[4,6,6]C[4,3x6]C[3x6]H)(C[4]C[4,3x6]CH)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	119.8623	12.204	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(OC){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.3805	1.620	2	121.3805	2.624	2	121.3805	2.624	2	119.8623	12.204	4	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:2:	3:3:3:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,3x6]-4:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[4]C[4,3x6]C[4]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[4,3x6]C[4,6,6]C[6,6]2)(C[4]C[4,6,6]CH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO)	C[6a](C[4]C[4,3x6]C[4]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[4](C[4,3x6]C[4,6,6]C[6,6]2)(C[4]C[4,6,6]CH)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0570	0.000	1	120.0570	0.000	1	120.0570	0.000	1	123.3650	21.886	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:2:	3:3:3:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[4]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[4]C[4,6,6]C[4]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[4,6,6]C[4,3x6]C[3x6]H)(C[4]C[4,3x6]CH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO)	C[6a](C[4]C[4,6,6]C[4]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[4](C[4,6,6]C[4,3x6]C[3x6]H)(C[4]C[4,3x6]CH)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.6730	0.000	1	126.6730	0.000	1	126.6730	0.000	1	123.3650	21.886	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[6a]C[4])(C[6a]C[6a]H)2	C[4](C[4,5]C[4,5]C[5]Cl)(C[4]C[4,5]HH)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[6a]C[4])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,4|C<3>,4|H<1>}	C[4](C[4,5]C[4,5]C[5]Cl)(C[4]C[4,5]HH)(C[6a]C[6a]2)2{1|Cl<1>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2198	2.250	4	121.2198	5.064	4	121.1773	4.100	12	121.1686	3.346	16	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,5]C[6a]C[4])(C[6a]C[6a]H)2	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]OY)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,5]C[6a]C[4])(C[6a]C[6a]H)2{1|Y<14>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]OY)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1560	2.067	8	121.1560	4.271	8	121.1773	4.100	12	121.1686	3.346	16	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[6a]C[4])(C[6a]C[6a]H)2	C[4](C[4,6]C[4,6]C[6]Cl)(C[4]C[4,6]HH)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[6a]C[4])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,4|C<3>,4|H<1>}	C[4](C[4,6]C[4,6]C[6]Cl)(C[4]C[4,6]HH)(C[6a]C[6a]2)2{1|Cl<1>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	121.1425	1.301	4	121.1425	1.694	4	121.1425	1.694	4	121.1686	3.346	16	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[4,6]C[4,6]N[6]C)(C[4]C[4,6]HH)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[4](C[4,6]C[4,6]N[6]C)(C[4]C[4,6]HH)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	4:4:3:4:	3:3:4:	C[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[4]C[4,6]C[4]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4](C[4,6]C[4,6]N[6]C)(C[4]C[4,6]HH)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CCHH)	C[6a](C[4]C[4,6]C[4]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[4](C[4,6]C[4,6]N[6]C)(C[4]C[4,6]HH)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>,3|C<4>}	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	5:2:3:4:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	Ge[3,3,4]-5:O[4]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]Ge[3,3,4]O[4]C)(C[6a]C[6a]H)2	C[4](Ge[3,3,4]Ge[3,3,4]B[3,3]N[3]2)(O[4]Ge[3,3,4])(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]Ge[3,3,4]O[4]C)(C[6a]C[6a]H)2{1|Ge<5>,1|B<4>,1|C<3>,2|H<1>,2|N<3>}	C[4](Ge[3,3,4]Ge[3,3,4]B[3,3]N[3]2)(O[4]Ge[3,3,4])(C[6a]C[6a]2)(CF3){1|B<4>,2|H<1>,3|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<5>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7860	2.768	2	120.7860	7.660	2	120.7860	7.660	2	120.7860	7.660	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	0:SP2_SP2_SP3	C[6a]	C[4]	C[6a]	4:3:3:	5:3:4:1:	3:3:1:	C[4]-4:C[6a]-3:C[6a]-3:	S[4,5]-5:C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]S[4,5]C[4]H)(C[6a]C[6a]H)2	C[4](S[4,5]C[5,6a]N[4]O[5]O)(C[6a]C[6a]2)(C[4]N[4]CC)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]S[4,5]C[4]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[4](S[4,5]C[5,6a]N[4]O[5]O)(C[6a]C[6a]2)(C[4]N[4]CC)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<5>,3|H<1>}	120.0180	3.948	2	120.0180	15.591	2	120.0180	15.591	2	120.0180	15.591	2	120.9990	3.400	1597	121.0321	3.842	2084
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,3x6]	C[6,6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[4,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[4,6]-4:C[6]-4:	C[6,6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6,6a](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[4,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH)	C[6,6,6a](C[6,6,6a]C[4,3x6]C[6a])(N[6,6]C[4,6,6]C)(C[6a]C[6a]H)	C[6,6,6a](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6,6a]N[6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,7|H<1>}	C[4,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[4,3x6]C[6a])(N[6,6]C[4,6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	117.6230	0.000	1	117.6230	0.000	1	117.6230	0.000	1	117.6230	0.000	1	117.6230	0.000	1	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,4,6,6]	C[3x6,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[3x6,6a]-3:C[4,4,6,6]-4:C[6a]-3:	C[3x4,6]-4:C[3x4,6]-4:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:N[3x6]-3:C[6,6a]-3:	C[6,6,6a](C[3x6,6a]C[6,6a]N[3x6])(C[4,4,6,6]C[3x4,6]2H)(C[6a]C[6a,6a]H)	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(C[6,6,6a]C[3x6,6a]C[6a])(H)	C[3x6,6a](C[6,6,6a]C[4,4,6,6]C[6a])(N[3x6]C[4,4,6,6]C[6])(C[6,6a]C[6a,6a]C[6])	C[6,6,6a](C[3x6,6a]C[6,6a]N[3x6])(C[4,4,6,6]C[3x4,6]2H)(C[6a]C[6a,6a]H){1|C<5>,1|H<2>,2|C<3>,2|C<4>,2|H<1>}	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(C[6,6,6a]C[3x6,6a]C[6a])(H){1|N<3>,2|C<3>,3|H<1>}	C[3x6,6a](C[6,6,6a]C[4,4,6,6]C[6a])(N[3x6]C[4,4,6,6]C[6])(C[6,6a]C[6a,6a]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	119.9850	0.000	1	119.9850	0.000	1	119.9850	0.000	1	119.9850	0.000	1	119.9850	0.000	1	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]HH)(H){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	116.8620	0.000	1	116.8620	0.000	1	116.6255	0.112	2	116.6255	0.112	2	116.8960	0.279	26	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]HH)2(H){1|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	116.3890	0.000	1	116.3890	0.000	1	116.6255	0.112	2	116.6255	0.112	2	116.8960	0.279	26	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	116.6590	0.413	4	116.6590	0.171	4	116.5953	0.174	12	116.5953	0.174	12	116.8960	0.279	26	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){2|C<3>,4|C<4>,4|H<1>}	116.9250	0.000	1	117.1635	0.114	2	116.5953	0.174	12	116.5953	0.174	12	116.8960	0.279	26	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	117.4020	0.000	1	117.1635	0.114	2	116.5953	0.174	12	116.5953	0.174	12	116.8960	0.279	26	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	116.3635	0.245	6	116.3635	0.060	6	116.5953	0.174	12	116.5953	0.174	12	116.8960	0.279	26	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H)	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	117.2417	0.456	12	117.2417	0.208	12	117.2417	0.208	12	117.2417	0.208	12	116.8960	0.279	26	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4]-3:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2{1|Br<1>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]Br){1|C<4>,2|H<1>,4|C<3>}	121.2820	0.000	1	121.2820	0.000	1	120.1093	0.780	6	120.1093	0.780	6	120.1894	1.619	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4]-3:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2{1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	120.9940	0.000	1	120.6410	0.249	2	120.1093	0.780	6	120.1093	0.780	6	120.1894	1.619	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4]-3:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2{1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	120.2880	0.000	1	120.6410	0.249	2	120.1093	0.780	6	120.1093	0.780	6	120.1894	1.619	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4]-3:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2{1|Br<1>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,2|C<4>,4|C<3>}	119.3580	0.000	1	119.3640	0.022	3	120.1093	0.780	6	120.1093	0.780	6	120.1894	1.619	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4]-3:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2{1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,2|C<4>,4|C<3>}	119.2190	0.000	1	119.3640	0.022	3	120.1093	0.780	6	120.1093	0.780	6	120.1894	1.619	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[4,6]-4:C[4]-3:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2{1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,2|C<4>,4|C<3>}	119.5150	0.000	1	119.3640	0.022	3	120.1093	0.780	6	120.1093	0.780	6	120.1894	1.619	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[4,6]-4:C[6,6,6a]-3:C[4]-3:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]C[6])	C[4,6,6](C[4,6]C[3,6]C[4]H)(C[6,6,6a]C[6,6a]2)(C[4]C[6a]C[4])(C[6]N[6]O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[4,6,6](C[4,6]C[3,6]C[4]H)(C[6,6,6a]C[6,6a]2)(C[4]C[6a]C[4])(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,3|C<3>,3|C<4>}	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	120.1894	1.619	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4,6,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:4:3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[4,6]-4:C[6,6,6a]-3:C[4]-3:C[6]-3:	C[6,6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]C[6])	C[4,6,6](C[4,6]C[3,6]C[4]H)(C[6,6,6a]C[6,6a]2)(C[4]C[6a]C[4])(C[6]N[6]O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[4,6,6](C[4,6]C[3,6]C[4]H)(C[6,6,6a]C[6,6a]2)(C[4]C[6a]C[4])(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.3370	0.000	1	122.3370	0.000	1	122.3370	0.000	1	122.3370	0.000	1	120.1894	1.619	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,3x6]	C[6,6a]	4:3:3:	4:4:3:3:	3:3:3:	C[4,3x6]-4:C[6,6a]-3:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,3x6]C[4,6,6]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,3x6](C[4,6,6]C[4,3x6]C[6,6a]H)2(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O)	C[6,6a](C[6,6a]C[4,3x6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,3x6]C[4,6,6]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[4,3x6](C[4,6,6]C[4,3x6]C[6,6a]H)2(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O){1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[4,3x6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	118.7000	0.045	2	118.7000	0.002	2	118.7000	0.002	2	118.7000	0.002	2	118.7000	0.002	2	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,5,5,6,6]	C[6,6a]	4:3:3:	4:4:4:3:	3:3:3:	C[4,5,5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,5,6,6]-4:C[3x5,6]-4:C[4,5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,5,5,6,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,5,5,6,6](C[4,5,5,6,6]C[3x5,6]C[4,5,6]C[6,6a])(C[3x5,6]C[5,5,6,6]C[5,5]C[6a])(C[4,5,6]C[4,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[4,5,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,5,5,6,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,6|C<3>}	C[4,5,5,6,6](C[4,5,5,6,6]C[3x5,6]C[4,5,6]C[6,6a])(C[3x5,6]C[5,5,6,6]C[5,5]C[6a])(C[4,5,6]C[4,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|O<1>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[4,5,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	120.8105	0.264	2	120.8105	0.070	2	120.8105	0.070	2	120.8105	0.070	2	120.8105	0.070	2	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,5]-4:C[5,6]-3:C[4]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[4,5,6]C[4,5]C[5,6]C[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,5,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4]C[5]H)(C[5,6]C[6]N[5])(C[4]C[4]HH)	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[4,5,6]C[4,5]C[5,6]C[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[4,5,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4]C[5]H)(C[5,6]C[6]N[5])(C[4]C[4]HH){4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	119.1530	0.000	1	119.1530	0.000	1	119.1530	0.000	1	119.1530	0.000	1	120.3077	0.868	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,5]-4:C[4,6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[4,5,6]C[4,5]C[4,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,5,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]C)(O[5]C[5])	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[4,5,6]C[4,5]C[4,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[4,5,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]C)(O[5]C[5]){3|C<3>,8|H<1>}	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	120.3077	0.868	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6,6a]	4:3:3:	4:3:2:4:	3:3:3:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:O[5]-2:C[4]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,5,6]C[4,5,6]C[4]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(C[4]C[4]CC)	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,5,6]C[4,5,6]C[4]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(C[4]C[4]CC){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	120.3077	0.868	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[4]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,5,6]C[4,5,6]C[5,6a]C[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CC)	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,5,6]C[4,5,6]C[5,6a]C[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,6|C<3>}	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CC){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.9750	0.000	1	120.9750	0.000	1	120.4383	0.261	3	120.4383	0.261	3	120.3077	0.868	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[4]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,5,6]C[4,5,6]C[5,6a]C[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,5,6]C[4,5,6]C[5,6a]C[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	119.9570	0.000	1	119.9570	0.000	1	120.4383	0.261	3	120.4383	0.261	3	120.3077	0.868	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[4]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,5,6]C[4,5,6]C[5,6a]C[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6]C[6,6a]C[4]O[5])(C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,5,6]C[4,5,6]C[5,6a]C[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[4,5,6](C[4,5,6]C[6,6a]C[4]O[5])(C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH){1|H<1>,2|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.3830	0.000	1	120.3830	0.000	1	120.4383	0.261	3	120.4383	0.261	3	120.3077	0.868	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,5,6]	C[6,6a]	4:3:3:	4:4:3:3:	3:3:3:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[4,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6]C[6,6a]C[4,6]C[5])(C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[4,5,6](C[4,5,6]C[6,6a]C[4,6]C[5])(C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	121.4510	0.453	2	121.4510	0.205	2	121.4510	0.205	2	121.4510	0.205	2	120.3077	0.868	8	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6,6]	C[6,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[4,3x6]-4:C[4,3x6]-4:C[6,6a]-3: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[4,6,6]C[4,3x6]2H)(C[6a]C[6a]H)	C[4,6,6](C[4,3x6]C[4,6,6]C[6,6a]C[6,6])2(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[4,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6,6]C[4,3x6]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[4,6,6](C[4,3x6]C[4,6,6]C[6,6a]C[6,6])2(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|H<1>,2|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[4,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.6970	0.132	2	120.6970	0.017	2	120.6970	0.017	2	120.6970	0.017	2	120.6970	0.017	2	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[4,6]-4:	C[6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)	C[4,6](C[6,6a]C[6a,6a]C[6,6a])(C[4,6]C[4,6]C[6a]O[6])(C[4,6]C[4,6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6a,6a]C[6,6a])(C[4,6]C[4,6]C[6a]O[6])(C[4,6]C[4,6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	122.3140	0.000	1	122.3140	0.000	1	122.3140	0.000	1	122.3140	0.000	1	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	3:4:2:4:	3:3:3:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:O[4]-2:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]O[4]C)(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]H)(O[4]C[4])(CF3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]O[4]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]H)(O[4]C[4])(CF3){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.8620	0.000	1	120.8620	0.000	1	120.8620	0.000	1	120.8620	0.000	1	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]C)2(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]C)2(H){2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	121.7417	1.214	6	121.7417	1.474	6	121.5594	1.167	8	121.5594	1.167	8	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)2(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)2(H){2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	121.0125	0.052	2	121.0125	0.003	2	121.5594	1.167	8	121.5594	1.167	8	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-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[4,6]C[4,6]C[4]H)(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	119.9235	0.210	2	119.9235	0.044	2	120.4083	0.727	3	120.4083	0.727	3	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-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[4,6]C[4,6]C[4]H)(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]O[4]C)(C[4]O[4]CC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]O[4]C)(C[4]O[4]CC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	121.3780	0.000	1	121.3780	0.000	1	120.4083	0.727	3	120.4083	0.727	3	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:4:	C[5a,6a]-3:C[4,6]-4:C[6,6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6])	C[4,6](C[6,6a]C[5a,6a]C[6,6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(H)	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6]){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	C[4,6](C[6,6a]C[5a,6a]C[6,6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	121.9460	0.000	1	121.9460	0.000	1	121.9460	0.000	1	121.9460	0.000	1	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4: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[4,6]C[4,6]C[4]O)(C[6a]C[6,6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]H)(C[4]C[4]CH)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]O)(C[6a]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]H)(C[4]C[4]CH)(OH){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6,6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	122.6550	0.137	2	122.6550	0.019	2	122.6550	0.019	2	122.6550	0.019	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	3:4:4:2:	3:3:4:	C[5a,6a]-3:C[4,6]-4:C[6,6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]C[6])	C[4,6](C[6,6a]C[5a,6a]C[6,6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(OH)	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]C[6]){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[4,6](C[6,6a]C[5a,6a]C[6,6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(OH){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	117.3230	0.000	1	117.3230	0.000	1	117.3230	0.000	1	117.3230	0.000	1	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4]-4:C[4]-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[4,6]C[4]2C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[4,6]C[4]2C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,9|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	121.5450	0.000	1	121.5450	0.000	1	121.0435	0.503	2	121.0435	0.503	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4]-4:C[4]-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[4,6]C[4]2C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)(C[4]C[4]HN)(C[6]C[6]FH)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[4,6]C[4]2C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|F<1>,1|N<3>,2|C<4>,7|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)(C[4]C[4]HN)(C[6]C[6]FH){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	120.5420	0.000	1	120.5420	0.000	1	121.0435	0.503	2	121.0435	0.503	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:2:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.8390	0.604	4	120.1283	0.625	6	120.1283	0.625	6	120.4479	0.659	10	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:2:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.7070	1.013	2	120.1283	0.625	6	120.1283	0.625	6	120.4479	0.659	10	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:2:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.9273	0.651	4	120.9273	0.424	4	120.9273	0.424	4	120.4479	0.659	10	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:4:2:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,6]-4:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a](C[6,6a]O[6a]C[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]O)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[6]CC)(O[6a]C[6a])	C[6,6a](C[6,6a]O[6a]C[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]O){2|H<1>,3|C<3>,4|C<4>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,4|C<3>}	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>}	120.5390	0.074	2	120.5390	0.005	2	120.5390	0.005	2	120.5390	0.005	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[4]-4:C[4]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4]C[6a]N[4]H)(C[4]N[4]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4]C[6a]N[4]H)(C[4]N[4]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,4|C<3>}	119.0480	0.161	2	119.8344	1.024	18	119.8344	1.024	18	119.8344	1.024	18	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[4]-4:C[4]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4]C[6a]N[4]H)(C[4]N[4]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4]C[6a]N[4]H)(C[4]N[4]O){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,4|C<3>}	120.3040	0.173	2	119.8344	1.024	18	119.8344	1.024	18	119.8344	1.024	18	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[4]-4:C[4]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4]C[6a]N[4]H)(C[4]N[4]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4]C[6a]N[4]H)(C[4]N[4]O){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,4|C<3>}	119.8797	1.097	14	119.8344	1.024	18	119.8344	1.024	18	119.8344	1.024	18	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[4,6]-3:C[4]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]N[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(N[4,6]C[4]C[6])(C[4]C[4]HH)(CF3)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]N[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(N[4,6]C[4]C[6])(C[4]C[4]HH)(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]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>}	117.1830	0.000	1	117.1830	0.000	1	117.1830	0.000	1	117.1830	0.000	1	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[4,6]-4:C[4]-4:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[6,6a]C[4,6]C[4])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4,6]C[6,6a]2C[4])(C[4]C[4]HH)	C[6,6a](C[4,6]C[6,6a]C[4,6]C[4])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[6,6a]C[4,6]C[4])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<4>,4|H<1>,5|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])2(C[4,6]C[6,6a]2C[4])(C[4]C[4]HH){1|C<4>,4|H<1>,8|C<3>}	C[6,6a](C[4,6]C[6,6a]C[4,6]C[4])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<4>,4|H<1>,5|C<3>}	116.3023	0.405	4	116.3023	0.164	4	116.3023	0.164	4	116.3023	0.164	4	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:2:3:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,5]-4:O[4]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[4,6]C[4,5]C[6]O[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(C[6]N[6]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[4,6]C[4,5]C[6]O[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(C[6]N[6]O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.6532	0.366	5	118.6532	0.134	5	118.6532	0.134	5	118.6532	0.134	5	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6]N[4]H)(C[4]N[4]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6]N[4]H)(C[4]N[4]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	120.2270	0.628	2	120.2270	0.394	2	120.2270	0.394	2	120.2270	0.394	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:N[4]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[4,6]C[4,6]N[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]N[6]H)(N[4]C[4]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[4,6]C[4,6]N[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,6|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]N[6]H)(N[4]C[4]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.1860	0.000	1	119.1860	0.000	1	119.1860	0.000	1	119.7125	0.554	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4]-4:N[4,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[4,6]N[4,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[6a]C[4]C)(N[4,6]C[4]C[6])(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[4,6]N[4,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[6a]C[4]C)(N[4,6]C[4]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	119.7125	0.554	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,5]-4:C[6]-3:O[4]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,5]C[6]O[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]H)(C[6]C[6,6a]O)(O[4]C[4,5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,5]C[6]O[4])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]H)(C[6]C[6,6a]O)(O[4]C[4,5]){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.8000	0.000	1	118.8000	0.000	1	118.8000	0.000	1	118.8000	0.000	1	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[6a]-3:C[4]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[4,6]C[6a]C[4])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[6a]C[6a]2)(C[4]C[4]C)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[4,6]C[4,6]C[6a]C[4])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[6a]C[6a]2)(C[4]C[4]C){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	121.2395	0.309	2	121.2395	0.095	2	121.2395	0.095	2	121.2395	0.095	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[4,6]C[4]Cl)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]Cl)(C[4]C[4]CO)(Cl)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[4,6]C[4,6]C[4]Cl)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]Cl)(C[4]C[4]CO)(Cl){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.8195	0.252	2	118.8195	0.064	2	118.8195	0.064	2	118.8195	0.064	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,5]-4:C[4,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[4,5]C[4,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[4,6]C[4,5]C[4,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<2>,3|C<3>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]O)(H){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	121.3610	0.000	1	121.3610	0.000	1	121.3610	0.000	1	120.1765	7.016	4	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6]N[4]H)(C[4]N[4]CH)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6]N[4]H)(C[4]N[4]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	118.9610	0.000	1	118.9610	0.000	1	121.0835	9.010	2	120.1765	7.016	4	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6]N[4]H)(C[4]N[4]CH)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6]N[4]H)(C[4]N[4]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	123.2060	0.000	1	123.2060	0.000	1	121.0835	9.010	2	120.1765	7.016	4	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:Si[4]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[4,6]C[4,6]Si[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]Si[4]C[6]H)(Si[4]Si[4]BrN)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[4,6]C[4,6]Si[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|Si<4>,1|N<3>,2|C<3>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]Si[4]C[6]H)(Si[4]Si[4]BrN)(H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	117.1780	0.000	1	117.1780	0.000	1	117.1780	0.000	1	120.1765	7.016	4	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|H<1>,5|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	121.0170	0.000	1	121.0170	0.000	1	121.0170	0.000	1	121.0170	0.000	1	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(OC)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(OC){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	121.5090	0.000	1	121.5090	0.000	1	121.5090	0.000	1	118.5177	6.778	3	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[4,6]C[4]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(O[6]C[6])	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[4,6]C[4,6]C[4]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(O[6]C[6]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	117.2810	0.000	1	117.0220	0.134	2	117.0220	0.134	2	118.5177	6.778	3	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[4,6]C[4]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(O[6]C[6])	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[4,6]C[4,6]C[4]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	116.7630	0.000	1	117.0220	0.134	2	117.0220	0.134	2	118.5177	6.778	3	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,4]-4:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[3,4]C[4,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,6]C[4]C[6]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]C[3,4]C[4,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>,5|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,6]C[4]C[6]C)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>,9|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	116.5845	5.228	2	116.5845	27.328	2	119.3598	19.419	4	120.2170	11.595	7	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,4]-4:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[3,4]C[4,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,6]C[4]C[6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[4,6]C[3,4]C[4,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<4>,3|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,6]C[4]C[6]H)(C[6a]C[6a]2){1|N<3>,5|C<3>,9|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	122.1350	0.348	2	122.1350	0.121	2	119.3598	19.419	4	120.2170	11.595	7	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]O)(C[4]C[4]CC)(CN[5]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]O)(C[4]C[4]CC)(CN[5]O){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	120.2170	11.595	7	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CC)(CN[5]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>,4|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CC)(CN[5]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.1885	0.579	2	122.1885	0.335	2	122.1885	0.335	2	120.2170	11.595	7	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CO)(CCHH)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[4,6]C[4,6]C[4]C)(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[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CO)(CCHH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	119.9680	0.000	1	119.9680	0.000	1	119.6470	0.206	2	119.6470	0.206	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]HO)(CCHH)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]HO)(CCHH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	119.3260	0.000	1	119.3260	0.000	1	119.6470	0.206	2	119.6470	0.206	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CC)(CH3)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>,3|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CC)(CH3){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	119.5950	0.000	1	119.5950	0.000	1	120.2860	0.955	2	120.2860	0.955	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CO)(CH3)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]C[6]C)(C[4]C[4]CO)(CH3){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	120.9770	0.000	1	120.9770	0.000	1	120.2860	0.955	2	120.2860	0.955	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[6,6a]C[6,6a]C[6a])(C[4]C[6a]C[4])(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[6,6a]C[6,6a]C[6a])(C[4]C[6a]C[4])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.5320	0.000	1	121.5320	0.000	1	121.5320	0.000	1	121.5320	0.000	1	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[4,6]-4:C[5,6a]-3:C[6,6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[5,6a]C[6,6a])(C[4]C[4,5]CC)(H)	C[6,6a](C[6,6a]C[5,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[5,6a]C[6,6a])(C[4]C[4,5]CC)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	120.9940	0.000	1	120.9940	0.000	1	120.9940	0.000	1	120.7406	1.693	9	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	120.3770	0.000	1	120.3770	0.000	1	121.2784	0.326	5	120.7406	1.693	9	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	121.6255	0.472	2	121.5037	0.096	4	121.2784	0.326	5	120.7406	1.693	9	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	121.3280	0.000	1	121.5037	0.096	4	121.2784	0.326	5	120.7406	1.693	9	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<3>,2|H<1>,4|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]CC)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	121.4360	0.000	1	121.5037	0.096	4	121.2784	0.326	5	120.7406	1.693	9	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[4,6]C[4,6,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,6]HH)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[4,6]C[4,6,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[4]C[4,6]HH)(H){2|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	119.7597	1.981	3	119.7597	3.923	3	119.7597	3.923	3	120.7406	1.693	9	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[4,5,6]N[5,6]C[4]O[5])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[4,6](C[4,5,6]N[5,6]C[4]O[5])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	120.9520	0.000	1	120.9520	0.000	1	120.6750	0.153	2	119.8888	1.214	4	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[4,5,6]N[5,6]C[4]S[5])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[4,6](C[4,5,6]N[5,6]C[4]S[5])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	120.3980	0.000	1	120.3980	0.000	1	120.6750	0.153	2	119.8888	1.214	4	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,5]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[6,6a]C[4,5]C)(C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]O[5]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,5]C)(C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]O[5]H)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	119.1025	1.008	2	119.1025	1.015	2	119.1025	1.015	2	119.8888	1.214	4	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	119.6047	0.320	3	119.6605	0.089	11	119.6917	0.128	24	119.8238	0.559	25	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	119.4147	0.152	4	119.6605	0.089	11	119.6917	0.128	24	119.8238	0.559	25	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	119.8880	0.130	2	119.6605	0.089	11	119.6917	0.128	24	119.8238	0.559	25	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	120.0080	0.054	2	119.6605	0.089	11	119.6917	0.128	24	119.8238	0.559	25	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	119.6320	0.000	1	119.9210	0.083	9	119.6917	0.128	24	119.8238	0.559	25	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	119.8290	0.072	2	119.9210	0.083	9	119.6917	0.128	24	119.8238	0.559	25	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	120.1030	0.601	2	119.9210	0.083	9	119.6917	0.128	24	119.8238	0.559	25	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	120.0905	0.040	2	119.9210	0.083	9	119.6917	0.128	24	119.8238	0.559	25	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2H)(H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	119.8060	0.206	2	119.9210	0.083	9	119.6917	0.128	24	119.8238	0.559	25	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,4,6]-4:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2O)(H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,4,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[4,4,6]C[4,4,6]2O)(H){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[4,6]C[4,4,6]C[4,6]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	119.2620	0.238	4	119.2620	0.057	4	119.6917	0.128	24	119.8238	0.559	25	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,5]-4:F-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]F)	C[4,6](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(F)	C[6,6a](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]F)	C[6,6a](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]F){1|C<3>,1|H<1>,4|C<4>,4|F<1>}	C[4,6](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(F){2|C<4>,2|F<1>,3|H<1>,4|C<3>}	C[6,6a](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]F){1|H<1>,2|C<3>,3|C<4>,4|F<1>}	122.9940	0.000	1	122.9940	0.000	1	122.9940	0.000	1	119.8238	0.559	25	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:2:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,4,6]-4:C[6,6a]-3:C[4]-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4,6](C[4,4,6]C[3,4]C[4,6]O[4])(C[6,6a]C[6,6a]C[6a])(C[4]O[4]CC)(OH)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[4,6](C[4,4,6]C[3,4]C[4,6]O[4])(C[6,6a]C[6,6a]C[6a])(C[4]O[4]CC)(OH){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	123.2070	0.250	2	123.2070	0.063	2	123.2070	0.063	2	122.1412	3.338	4	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:2:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[4,5]-4:C-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,5]C[4,6]C)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,6]C[6,6a]C[4,5]H)(C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(CN)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,5]C[4,6]C)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,5]H)(C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(CN){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	121.0755	2.326	2	121.0755	5.409	2	121.0755	5.409	2	122.1412	3.338	4	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4,6]C[4,5,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]HH)(CH3)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]C[4,5,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[4]C[4,5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	122.6810	0.000	1	122.6810	0.000	1	122.6810	0.000	1	122.6810	0.000	1	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[4,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,5,6]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,5,6]C[4,5,6]C[6,6a]C[5])(C[4,6]C[4,5,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,5,6]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[4,6](C[4,5,6]C[4,5,6]C[6,6a]C[5])(C[4,6]C[4,5,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	122.0980	0.025	2	122.0980	0.001	2	122.0980	0.001	2	122.0980	0.001	2	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,4,6]-4:C[4,5]-4:C[6,6a]-3:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4,5]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,4,6]C[4,4,5]C[4,4,6]C)(C[4,5]C[4,4,5]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[4,6]C[4,4,6]C[4,5]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4,5]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[4,6](C[4,4,6]C[4,4,5]C[4,4,6]C)(C[4,5]C[4,4,5]O[5]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[4,6]C[4,4,6]C[4,5]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	117.5770	0.000	1	117.5770	0.000	1	117.5640	0.000	2	119.7720	14.626	3	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,4,6]-4:C[4,5]-4:C[6,6a]-3:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,4,6]C[4,5]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[4,6](C[4,4,6]C[4,4,5]C[4,4,6]H)(C[4,5]C[4,4,5]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[4,6]C[4,4,6]C[4,5]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4,5]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[4,6](C[4,4,6]C[4,4,5]C[4,4,6]H)(C[4,5]C[4,4,5]O[5]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[4,6]C[4,4,6]C[4,5]H)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	117.5510	0.000	1	117.5510	0.000	1	117.5640	0.000	2	119.7720	14.626	3	120.1275	2.928	136	119.6701	3.593	186
643	478	643	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[6,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,5]-4:C[4,6]-4:C[6,6a]-3:F-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]F)	C[4,6](C[4,5]C[5,6a]C[4,5]H)(C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[6,6a]C[6a])(F)	C[6,6a](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]F)	C[6,6a](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]F){1|H<1>,2|C<3>,3|C<4>,4|F<1>}	C[4,6](C[4,5]C[5,6a]C[4,5]H)(C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[6,6a]C[6a])(F){1|H<1>,2|F<1>,3|C<4>,4|C<3>}	C[6,6a](C[4,6]C[4,5]C[4,6]F)(C[6,6a]C[4,6]C[6a])(C[6a]C[6a]F){1|C<3>,1|H<1>,4|C<4>,4|F<1>}	124.1880	0.000	1	124.1880	0.000	1	124.1880	0.000	1	119.7720	14.626	3	120.1275	2.928	136	119.6701	3.593	186
643	478	727	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[5,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[4,6]-4:C[5,6a]-3:C[6,6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[4]-4:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[5,6a]C[6,6a])(C[4]C[4,5]CC)(H)	C[5,6a](C[6,6a]C[6,6a]C[4,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[6,6a]C[5,6a]C[6,6a])(C[4]C[4,5]CC)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[4,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	124.6720	0.000	1	124.6720	0.000	1	124.6720	0.000	1	124.6720	0.000	1	124.6720	0.000	1	123.7636	9.292	5
643	478	727	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[5a,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[4,6]-4:C[6,6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:H-1:	C[6,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6])	C[4,6](C[6,6a]C[5a,6a]C[6,6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(H)	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6]){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	C[4,6](C[6,6a]C[5a,6a]C[6,6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	118.9370	0.000	1	118.9370	0.000	1	118.9370	0.000	1	118.9370	0.000	1	120.8605	7.400	2	123.7636	9.292	5
643	478	727	0:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[5a,6a]	3:4:3:	3:4:4:2:	3:3:3:	C[5a,6a]-3:C[4,6]-4:C[6,6a]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:O-2:	C[6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]C[6])	C[4,6](C[6,6a]C[5a,6a]C[6,6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(OH)	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]C[6]){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[4,6](C[6,6a]C[5a,6a]C[6,6a])(C[4,6]C[4]C[6]H)(C[4]C[4]CH)(OH){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.7840	0.000	1	122.7840	0.000	1	122.7840	0.000	1	122.7840	0.000	1	120.8605	7.400	2	123.7636	9.292	5
643	478	727	0:SP2_SP2_SP3	C[6a]	C[4]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:C[4]-4:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H)	C[4](C[6a]C[5a,6a]N[6a])(C[4]C[6a]C[4]H)2(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[4](C[6a]C[5a,6a]N[6a])(C[4]C[6a]C[4]H)2(H){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a]){1|C<3>,2|H<1>,4|C<4>}	126.2125	0.306	2	126.2125	0.094	2	126.2125	0.094	2	126.2125	0.094	2	126.2125	0.094	2	123.7636	9.292	5
643	478	727	6:SP2_SP2_SP3	C[6,6a]	C[4,6]	C[5,6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a]-3:C[4,5]-4:C[4,6]-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[4,6]C[4,5]C[4,6]H)(C[6a]C[6a]H)	C[4,6](C[6,6a]C[5,6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(H)	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[5,6]C[5,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[4,6]C[4,5]C[4,6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[4,6](C[6,6a]C[5,6,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[5,6]C[5,6a]C[6]){2|C<4>,3|C<3>,4|H<1>}	117.2942	0.326	6	117.2942	0.107	6	117.2942	0.107	6	117.2942	0.107	6	117.2942	0.107	6	117.2942	0.107	6
643	478	933	0:SP2_SP2_SP3	C[6a]	C[4]	O[6a]	3:4:2:	3:4:4:1:	3:3:	C[6a]-3:C[4]-4:O[6a]-2:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[4]C[4]2H)(O[6a]C[6a])	C[4](C[6a]C[6a]O[6a])(C[4]C[6a]C[4]H)(C[4]C[4]CH)(H)	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C[4])	C[6a](C[6a]C[6a,6a]H)(C[4]C[4]2H)(O[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[4](C[6a]C[6a]O[6a])(C[4]C[6a]C[4]H)(C[4]C[4]CH)(H){1|O<2>,2|H<1>,4|C<3>}	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C[4]){2|C<3>,2|C<4>,2|H<1>}	110.4938	2.651	4	110.4938	7.027	4	110.4938	7.027	4	110.4938	7.027	4	110.6458	5.386	5	110.6458	5.386	5
643	478	933	0:SP2_SP2_SP3	C[6a]	C[4]	O[6a]	4:3:2:	4:4:3:1:	3:3:	C[4]-4:C[6a]-3:O[6a]-2:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(O[6a]C[6a])	C[4](C[4,6]C[4,6]O[6]C)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]O[6a])(H)	O[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(O[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[4](C[4,6]C[4,6]O[6]C)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]O[6a])(H){2|H<1>,6|C<3>}	O[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	110.6458	5.386	5	110.6458	5.386	5
643	486	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3,6,6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[6,6,6a]-3:C[6a]-3:H-1:	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[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	C[6a](C[6,6,6a]C[6,6,6a]C[3,6,6])(C[6a]O[6a]H)(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){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<3>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3,6,6])(C[6a]O[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,2|P<3>}	118.3870	0.000	1	118.3508	0.031	4	118.3508	0.031	4	118.3508	0.031	4	119.5562	7.289	5	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3,6,6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[6,6,6a]-3:C[6a]-3:H-1:	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[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	C[6a](C[6,6,6a]C[6,6,6a]C[3,6,6])(C[6a]O[6a]H)(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){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Au<2>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3,6,6])(C[6a]O[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,2|P<3>}	118.3350	0.000	1	118.3508	0.031	4	118.3508	0.031	4	118.3508	0.031	4	119.5562	7.289	5	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3,6,6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[6,6,6a]-3:C[6a]-3:H-1:	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[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	C[6a](C[6,6,6a]C[6,6,6a]C[3,6,6])(C[6a]O[6a]H)(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){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Cu<3>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3,6,6])(C[6a]O[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,2|P<3>}	118.3405	0.303	2	118.3508	0.031	4	118.3508	0.031	4	118.3508	0.031	4	119.5562	7.289	5	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3,6,6]	C[6a]	3:4:3:	4:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,5,6]-4:C[3,5,6]-4:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	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[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3,6,6])(C[6a]C[6a]H)(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){1|C<3>,3|C<4>,4|H<1>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3,6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	124.3780	0.000	1	124.3780	0.000	1	124.3780	0.000	1	124.3780	0.000	1	119.5562	7.289	5	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5])	C[6a](C[6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5]){5|C<3>,5|H<1>}	C[6a](C[6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>}	123.7435	0.243	2	123.7435	0.059	2	123.7435	0.059	2	123.7435	0.059	2	123.2416	1.056	5	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,5,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:C[3]-4:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a](C[3,5,6]C[3,5]C[5,6]C[3])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH)	C[6a](C[6,6a]C[3,5,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6a](C[3,5,6]C[3,5]C[5,6]C[3])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[3,5,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	124.3730	0.000	1	124.3730	0.000	1	124.3730	0.000	1	124.3730	0.000	1	123.2416	1.056	5	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,5,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6]-4:C[6,6a]-3:C[5,6]-3:O[3]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6])	C[6a](C[6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	123.2416	1.056	5	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,5,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5]-4:C[6,6a]-3:C[5,6]-4:O[3]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6a](C[6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.9490	0.000	1	121.9490	0.000	1	121.9490	0.000	1	121.9490	0.000	1	123.2416	1.056	5	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<4>,3|C<3>}	121.9480	0.000	1	121.9480	0.000	1	121.9480	0.000	1	121.9480	0.000	1	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H)	C[6a](C[6,6a]C[6,6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2400	0.000	1	120.2400	0.000	1	119.8383	0.517	3	119.8383	0.517	3	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6a](C[6,6a]C[6,6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6375	0.890	2	119.6375	0.793	2	119.8383	0.517	3	119.8383	0.517	3	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.9695	0.009	2	118.9695	0.000	2	118.9695	0.000	2	118.9695	0.000	2	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]BrC)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]BrC)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.5330	0.000	1	118.5330	0.000	1	119.3168	0.805	5	119.3168	0.805	5	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.0725	0.723	2	119.0725	0.523	2	119.3168	0.805	5	119.3168	0.805	5	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.1930	0.000	1	119.1930	0.000	1	119.3168	0.805	5	119.3168	0.805	5	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7130	0.000	1	120.7130	0.000	1	119.3168	0.805	5	119.3168	0.805	5	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O)	C[6a](C[6,6a]C[5,6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[3,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	126.6850	0.000	1	126.6850	0.000	1	126.6850	0.000	1	124.2155	3.707	4	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.6915	0.207	2	122.6915	0.043	2	123.3923	1.495	3	124.2155	3.707	4	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,7|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	124.7940	0.000	1	124.7940	0.000	1	123.3923	1.495	3	124.2155	3.707	4	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	121.4410	0.000	1	121.4410	0.000	1	121.4410	0.000	1	123.1942	1.663	4	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:H-1:	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[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(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){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	123.0510	0.000	1	123.0510	0.000	1	123.0510	0.000	1	123.1942	1.663	4	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	123.9230	0.000	1	123.9230	0.000	1	124.1425	0.096	2	123.1942	1.663	4	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	124.3620	0.000	1	124.3620	0.000	1	124.1425	0.096	2	123.1942	1.663	4	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.2710	0.000	1	119.2710	0.000	1	119.2710	0.000	1	119.2710	0.000	1	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[3,6]-3:O[3]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3])(O[3]N[3,6])(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3])(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.9700	0.532	2	119.9700	0.283	2	119.9700	0.283	2	119.9700	0.283	2	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-3:C[6]-3:O[3]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3]C[6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3])	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]2)(H)	C[6,6a](C[3,6]C[3]C[6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|N<3>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3]){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]2)(H){1|C<2>,1|O<2>,6|C<3>}	119.9180	0.000	1	119.9180	0.000	1	119.9180	0.000	1	119.9180	0.000	1	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[3]-3:C[3]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[6a]C[3])2	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[6a]C[3])2{1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	122.4140	0.185	2	122.4140	0.034	2	122.4140	0.034	2	122.4140	0.034	2	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[3,6]-3:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]N[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]N[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2740	0.000	1	121.2740	0.000	1	121.2740	0.000	1	121.2740	0.000	1	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.6670	0.000	1	121.9255	2.309	4	121.9255	2.309	4	121.7144	1.954	5	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.6783	0.250	3	121.9255	2.309	4	121.9255	2.309	4	121.7144	1.954	5	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[3]-4:O[3]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[6,6]C[3]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3])	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[6,6]C[3]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.8700	0.000	1	120.8700	0.000	1	120.8700	0.000	1	121.7144	1.954	5	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[3]C[3]HH)2	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[3]C[3]HH)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.4450	0.000	1	121.4450	0.000	1	121.4450	0.000	1	123.0970	2.053	3	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[3]HH)2	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|O<1>,3|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[3]HH)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	123.9230	0.115	2	123.9230	0.013	2	123.9230	0.013	2	123.0970	2.053	3	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0340	0.000	1	120.0340	0.000	1	120.0340	0.000	1	119.4635	0.651	2	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[3,6]-4:O[3]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	118.8930	0.000	1	118.8930	0.000	1	118.8930	0.000	1	119.4635	0.651	2	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.6985	0.202	2	119.6283	0.035	3	120.2627	1.633	4	120.2627	1.633	4	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.4880	0.000	1	119.6283	0.035	3	120.2627	1.633	4	120.2627	1.633	4	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	122.1660	0.000	1	122.1660	0.000	1	120.2627	1.633	4	120.2627	1.633	4	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]F)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(F)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]F){1|F<1>,3|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(F){2|C<3>,2|C<4>,2|H<1>}	121.7300	0.228	2	121.7300	0.052	2	121.7300	0.052	2	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.4530	0.000	1	120.4530	0.000	1	120.3631	1.485	14	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4000	0.000	1	118.8043	1.912	3	120.3631	1.485	14	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	118.0065	0.074	2	118.8043	1.912	3	120.3631	1.485	14	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]O)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(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[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	119.3890	0.000	1	119.3890	0.000	1	120.3631	1.485	14	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.6290	0.000	1	120.6290	0.000	1	120.3631	1.485	14	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.1320	0.000	1	120.1320	0.000	1	120.3631	1.485	14	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N[6])(C[3]C[3,6]Cl2)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N[6])(C[3]C[3,6]Cl2)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9585	0.141	2	120.9585	0.020	2	120.3631	1.485	14	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.9490	0.000	1	119.9490	0.000	1	120.3631	1.485	14	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<3>,2|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.1130	0.000	1	122.1130	0.000	1	120.3631	1.485	14	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6100	0.000	1	121.6100	0.000	1	120.3631	1.485	14	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.2390	0.242	2	121.2390	0.058	2	120.3631	1.485	14	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]C)(C[3,6]C[3]N[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]C)(C[3,6]C[3]N[6]H)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.8740	0.000	1	120.8740	0.000	1	120.6197	0.050	3	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.4530	0.000	1	120.4925	0.003	2	120.6197	0.050	3	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.5320	0.000	1	120.4925	0.003	2	120.6197	0.050	3	120.5475	1.264	19	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	119.5640	0.000	1	119.5640	0.000	1	119.5640	0.000	1	119.5640	0.000	1	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(COO)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]C)(H)	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(COO){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.7010	0.000	1	122.7010	0.000	1	122.7010	0.000	1	122.0297	0.371	3	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	121.5130	0.000	1	121.5130	0.000	1	121.6940	0.066	2	122.0297	0.371	3	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|F<1>,3|C<4>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	121.8750	0.000	1	121.8750	0.000	1	121.6940	0.066	2	122.0297	0.371	3	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2O[6])(C[3]C[3]HH)2	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2O[6])(C[3]C[3]HH)2{3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	122.7885	0.257	2	122.7885	0.066	2	122.7885	0.066	2	122.5942	1.467	6	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|F<1>,3|C<4>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,3|C<4>}	122.0500	0.000	1	122.0500	0.000	1	122.0500	0.000	1	122.5942	1.467	6	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[4,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(C[3]C[3]HH)2	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[4,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(C[3]C[3]HH)2{1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	123.7170	0.081	2	123.7170	0.006	2	123.7170	0.006	2	122.5942	1.467	6	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[3]C[3]HH)2	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[3]C[3]HH)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1	122.5942	1.467	6	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,3x6]-4:C[6,6a]-3:O[3]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,3x6]O[3]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,3x6]O[3]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8780	0.000	1	120.8780	0.000	1	120.8780	0.000	1	120.8780	0.000	1	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5]-4:C[6,6a]-3:C[6,6a]-3:S[3]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5])	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	125.3645	0.342	2	125.3645	0.117	2	125.3645	0.117	2	125.3645	0.117	2	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,5,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,5,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	120.4917	0.699	11	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.6230	0.000	1	121.6230	0.000	1	120.7033	0.230	10	120.4917	0.699	11	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[3]H)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[3]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3372	0.210	4	120.3372	0.044	4	120.7033	0.230	10	120.4917	0.699	11	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6a]C[3]N[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[3]N[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8122	0.352	5	120.8122	0.124	5	120.7033	0.230	10	120.4917	0.699	11	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5]-4:C[6,6a]-3:C[3,5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3,6]C[3,5]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[3,6]C[3,5]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	126.4380	0.327	2	126.4380	0.107	2	126.4380	0.107	2	125.0553	5.789	3	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:C-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(COO)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(COO){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	125.0553	5.789	3	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[3,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	120.7680	0.000	1	120.7680	0.000	1	120.7680	0.000	1	120.7680	0.000	1	121.3019	3.668	87	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3,5,4x6]	C[6a]	4:3:3:	6:5:5:3:	3:3:1:	C[3,3,5,4x6]-4:C[6a]-3:C[6a]-3:	B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(C[6a]C[6a]H)2	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,3,5,4x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(C[6a]C[6a]H)2{1|C<3>,2|B<5>,2|B<6>,5|H<1>}	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[6a]C[6a]2){1|B<5>,1|B<6>,2|C<3>,6|H<1>}	C[6a](C[6a]C[3,3,5,4x6]C[6a])(C[6a]C[6a]H)(H){1|B<5>,1|B<6>,1|C<3>,1|C<5>,2|H<1>}	121.2070	2.339	2	121.2070	5.471	2	121.2070	5.471	2	121.2070	5.471	2	121.2070	5.471	2	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	B[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,3,6]B[3,3,6]C[3,5,6]P[3x3,5])(C[6a]C[6a]H)2	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[3,3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,3,6]B[3,3,6]C[3,5,6]P[3x3,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[3,3,6]C[6a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	120.7025	3.849	2	120.7025	14.813	2	120.7025	14.813	2	120.7025	14.813	2	120.8803	3.183	16	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3,6]	C[6a]	4:3:3:	4:6:5:3:	3:3:1:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	C[3,3,6]-4:B[3x3,5]-6:B[3,5,6]-5:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,3,6]B[3,5,6]B[3x3,5]C[3,3,6])(C[6a]C[6a]H)2	C[3,3,6](C[3,3,6]B[3,5,6]B[3x3,5]C[6a])(B[3x3,5]B[3,5,6]2C[3,3,6]IrH)(B[3,5,6]B[3x3,5]C[5,6]IrH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,3,6]B[3,5,6]B[3x3,5]C[3,3,6])(C[6a]C[6a]H)2{1|Ir<10>,1|B<5>,1|C<4>,2|C<3>,4|H<1>}	C[3,3,6](C[3,3,6]B[3,5,6]B[3x3,5]C[6a])(B[3x3,5]B[3,5,6]2C[3,3,6]IrH)(B[3,5,6]B[3x3,5]C[5,6]IrH)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[3,3,6]C[6a])(C[6a]C[6a]H)(H){1|B<5>,1|B<6>,1|C<3>,1|C<4>,2|H<1>}	120.8456	1.223	8	120.8456	1.496	8	120.8456	1.496	8	120.8456	1.496	8	120.8803	3.183	16	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3,6]	C[6a]	4:3:3:	5:4:4:3:	3:3:1:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]H)2	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[3,3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[6a](C[6a]C[3,3,6]C[6a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,2|C<4>,2|H<1>}	120.6705	1.653	4	120.6705	2.732	4	120.6705	2.732	4	120.9857	4.465	6	120.8803	3.183	16	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3,6]	C[6a]	4:3:3:	5:4:4:3:	3:3:1:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]F)2	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[3,3,6]C[6a])(C[6a]C[6a]F)(F)	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,4|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2){1|C<4>,2|F<1>,8|C<3>}	C[6a](C[6a]C[3,3,6]C[6a])(C[6a]C[6a]F)(F){1|B<5>,1|C<3>,2|C<4>,2|F<1>}	121.6160	3.596	2	121.6160	12.934	2	121.6160	12.934	2	120.9857	4.465	6	120.8803	3.183	16	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,3]-4:C[6a]-3:C[6a]-3:	C[3,3]-4:C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,3]C[3,3]C[3]2)(C[6a]C[6a]H)2	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,3]C[3,3]C[3]2)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,6|H<1>}	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	120.4398	0.278	4	120.5389	1.113	18	120.5389	1.113	18	120.5389	1.113	18	120.1913	1.386	32	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,3]-4:C[6a]-3:C[6a]-3:	C[3,3]-4:C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,3]C[3,3]C[3]2)(C[6a]C[6a]H)2	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,3]C[3,3]C[3]2)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,6|H<1>}	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.7740	0.502	2	120.5389	1.113	18	120.5389	1.113	18	120.5389	1.113	18	120.1913	1.386	32	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,3]-4:C[6a]-3:C[6a]-3:	C[3,3]-4:C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,3]C[3,3]C[3]2)(C[6a]C[6a]H)2	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,3]C[3,3]C[3]2)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,6|H<1>}	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.5042	1.442	8	120.5389	1.113	18	120.5389	1.113	18	120.5389	1.113	18	120.1913	1.386	32	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,3]-4:C[6a]-3:C[6a]-3:	C[3,3]-4:C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,3]C[3,3]C[3]2)(C[6a]C[6a]H)2	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,3]C[3,3]C[3]2)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,6|H<1>}	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.5897	1.113	4	120.5389	1.113	18	120.5389	1.113	18	120.5389	1.113	18	120.1913	1.386	32	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3]	C[6a]	4:3:3:	7:3:3:2:	3:3:4:	C[3,3]-4:C[6a]-3:C[6a]-3:	Nb[3,3]-7:N[3]-3:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[3,3]Nb[3,3]N[3]O[3])(C[6a]C[6a]C)2	C[3,3](Nb[3,3]N[3]O[3]N3O)(N[3]Nb[3,3]C[6a])(C[6a]C[6a]2)(O[3]Nb[3,3])	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[3,3]Nb[3,3]N[3]O[3])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|H<1>,3|N<3>}	C[3,3](Nb[3,3]N[3]O[3]N3O)(N[3]Nb[3,3]C[6a])(C[6a]C[6a]2)(O[3]Nb[3,3]){2|C<4>,4|C<3>}	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(CH3){1|Nb<7>,1|C<3>,1|N<3>,1|O<2>,2|C<4>}	119.4670	0.902	4	119.4670	0.813	4	119.4670	0.813	4	119.4670	0.813	4	120.1913	1.386	32	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3]	C[6a]	4:3:3:	8:3:3:3:	3:3:1:	C[3,3]-4:C[6a]-3:C[6a]-3:	Nb[4x3]-8:N[3]-3:N[3]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,3]Nb[4x3]N[3]2)(C[6a]C[6a]H)2	C[3,3](Nb[4x3]C[3,3]N[3]4ClO)(N[3]Nb[4x3]Si)2(C[6a]C[6a]2)	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,3]Nb[4x3]N[3]2)(C[6a]C[6a]H)2{1|Cl<1>,2|Si<4>,1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[3,3](Nb[4x3]C[3,3]N[3]4ClO)(N[3]Nb[4x3]Si)2(C[6a]C[6a]2){2|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(H){1|Nb<8>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	120.6500	0.818	4	120.6500	0.669	4	120.6500	0.669	4	120.6500	0.669	4	120.1913	1.386	32	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3]	C[6a]	4:3:3:	8:3:3:3:	3:3:4:	C[3,3]-4:C[6a]-3:C[6a]-3:	Nb[3,3]-8:N[3]-3:N[3]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[3,3]Nb[3,3]N[3]2)(C[6a]C[6a]C)2	C[3,3](Nb[3,3]N[3]2Cl4P)(N[3]Nb[3,3]Si)2(C[6a]C[6a]2)	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(CCCH)	C[6a](C[3,3]Nb[3,3]N[3]2)(C[6a]C[6a]C)2{2|Si<4>,4|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	C[3,3](Nb[3,3]N[3]2Cl4P)(N[3]Nb[3,3]Si)2(C[6a]C[6a]2){2|C<3>,2|C<4>}	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(CCCH){1|Nb<8>,1|C<3>,2|C<4>,2|N<3>}	119.2560	0.412	2	119.2560	0.169	2	119.2560	0.169	2	119.2560	0.169	2	120.1913	1.386	32	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,3]	C[6a]	4:3:3:	9:3:3:2:	3:3:4:	C[3,3]-4:C[6a]-3:C[6a]-3:	Nb[5x3]-9:N[3]-3:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[3,3]Nb[5x3]N[3]O[3])(C[6a]C[6a]C)2	C[3,3](Nb[5x3]C[3,3]C[3]N[3]3O[3]2N)(N[3]Nb[5x3]C[6a])(C[6a]C[6a]2)(O[3]Nb[5x3])	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[3,3]Nb[5x3]N[3]O[3])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>,3|N<3>}	C[3,3](Nb[5x3]C[3,3]C[3]N[3]3O[3]2N)(N[3]Nb[5x3]C[6a])(C[6a]C[6a]2)(O[3]Nb[5x3]){2|H<1>,3|C<4>,6|C<3>}	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(CH3){1|Nb<9>,1|C<3>,1|N<3>,1|O<2>,2|C<4>}	119.3607	1.809	4	119.3607	3.271	4	119.3607	3.271	4	119.3607	3.271	4	120.1913	1.386	32	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,4,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,4,5]-4:C[6a]-3:C[6a]-3:	N[3,4,4]-3:C[3,4,5]-4:C[4,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,4,5]C[3,4,5]C[4,5,6]N[3,4,4])(C[6a]C[6a]H)2	C[3,4,5](N[3,4,4]C[4,4,5,6]C[3,4,5])(C[3,4,5]N[3,4,4]C[4,5]H)(C[4,5,6]C[4,4,5,6]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,4,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,4,5]C[3,4,5]C[4,5,6]N[3,4,4])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[3,4,5](N[3,4,4]C[4,4,5,6]C[3,4,5])(C[3,4,5]N[3,4,4]C[4,5]H)(C[4,5,6]C[4,4,5,6]C[6]H)(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[3,4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.2650	0.322	2	120.2650	0.104	2	120.2650	0.104	2	120.2650	0.104	2	120.2650	0.104	2	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,4]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,4]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2){1|Br<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[3,4]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9549	1.161	8	120.9395	1.630	10	121.0434	1.757	12	121.0434	1.757	12	121.1114	2.025	14	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,4]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,4]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2){4|C<3>,5|H<1>}	C[6a](C[6a]C[3,4]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8780	2.285	2	120.9395	1.630	10	121.0434	1.757	12	121.0434	1.757	12	121.1114	2.025	14	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,4]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]H)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,4]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]H)(C[3]C[3,4]HH)(C[6a]C[6a]2){1|Br<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[3,4]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5630	2.003	2	121.5630	4.010	2	121.0434	1.757	12	121.0434	1.757	12	121.1114	2.025	14	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,4]	C[6a]	4:3:3:	7:4:3:3:	3:3:1:	C[3,4]-4:C[6a]-3:C[6a]-3:	Nb[4x3,4]-7:C[3,3]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,4]Nb[4x3,4]C[3,3]C[4])(C[6a]C[6a]H)2	C[3,4](Nb[4x3,4]C[3,3]3N[3]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]C)(C[4]C[6a]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[3,4]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,4]Nb[4x3,4]C[3,3]C[4])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[3,4](Nb[4x3,4]C[3,3]3N[3]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]C)(C[4]C[6a]N[4])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[3,4]C[6a])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<4>,2|C<3>,2|H<1>}	121.5195	2.572	2	121.5195	6.614	2	121.5195	6.614	2	121.5195	6.614	2	121.1114	2.025	14	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5,5]-4:C[6a]-3:C[5,5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5,5]C[3,5,5]2C[5,5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C)(C[3,5,5]C[3,5,5]C[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,5]C[3x5]CC)	C[6a](C[6a]C[3,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5,5]C[3,5,5]2C[5,5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,7|C<4>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C)(C[3,5,5]C[3,5,5]C[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,5]C[3x5]CC){3|C<3>,6|H<1>}	C[6a](C[6a]C[3,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	120.4884	2.545	11	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5,5]-4:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5,5]C[3,5,5]2C[5,5,6])(C[6a]C[6a]H)2	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5,6]C[3x5,6]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5,5]C[3,5,5]2C[5,5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5,6]C[3x5,6]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	120.9705	0.490	4	120.9705	0.240	4	120.9705	0.240	4	120.8903	0.854	10	120.4884	2.545	11	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]H)2	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[5,5]N[5]O[5]C)(C[6a]C[6a]2){1|S<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.0150	0.096	2	121.0150	0.009	2	120.9695	1.832	4	120.8903	0.854	10	120.4884	2.545	11	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]H)2	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9240	2.341	2	120.9240	5.478	2	120.9695	1.832	4	120.8903	0.854	10	120.4884	2.545	11	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:P[5,5]-4:C[3,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5,5]C[3,5]2P[5,5])(C[6a]C[6a]H)2	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5,5]C[3,5]2P[5,5])(C[6a]C[6a]H)2{1|Se<1>,3|H<1>,6|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	120.5715	1.101	2	120.5715	1.212	2	120.5715	1.212	2	120.8903	0.854	10	120.4884	2.545	11	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,6,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5,6,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6,6]-4:C[5,5,6,6]-4:P[3,6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]P[3,6,6])(C[6a]C[6a]H)2	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]C)(P[3,6,6]C[3,5,6,6]N[6,6]W)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]P[3,6,6])(C[6a]C[6a]H)2{1|N<3>,1|W<6>,2|C<3>,3|C<4>,3|H<1>}	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]C)(P[3,6,6]C[3,5,6,6]N[6,6]W)(C[6a]C[6a]2){2|H<1>,3|C<3>,5|C<4>}	C[6a](C[6a]C[3,5,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	120.7455	1.668	2	120.7455	2.782	2	120.7455	2.782	2	120.7455	2.782	2	120.7455	2.782	2	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	P[3x3,5]-4:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5,6]C[3,3,6]P[3x3,5]C[5,6])(C[6a]C[6a]H)2	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5,6]C[3,3,6]P[3x3,5]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,4|C<3>}	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	120.7035	1.421	2	120.7035	2.018	2	120.7035	2.018	2	120.7035	2.018	2	120.8211	5.225	18	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6,6])(C[6a]C[6a]H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6,6]C[5,6,6]C[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6,6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,5|C<3>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6,6]C[5,6,6]C[6]2)(C[6a]C[6a]2){2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	120.7425	1.076	2	120.7425	1.157	2	120.7425	1.157	2	120.1420	3.321	9	120.8211	5.225	18	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,6]-4:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[3,5,6]C[3,5]C[3,6]C[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[3,5,6]C[6a])(H)	C[6a](C[3,5,6]C[3,5]C[3,6]C[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[3,5,6]C[6a])(H){1|O<2>,2|C<3>,4|C<4>}	116.5470	0.000	1	116.5470	0.000	1	116.5470	0.000	1	120.1420	3.321	9	120.8211	5.225	18	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]H)2	C[3,5,6](C[3,6,6]C[3,5,6]C[4,6,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	C[3,5,6](C[3,6,6]C[3,5,6]C[4,6,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.6750	1.240	2	120.6750	1.538	2	120.5410	2.162	6	120.1420	3.321	9	120.8211	5.225	18	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]H)2	C[3,5,6](C[3,6,6]C[4,5,3x6]C[3,5,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	C[3,5,6](C[3,6,6]C[4,5,3x6]C[3,5,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.4740	1.753	4	120.4740	3.073	4	120.5410	2.162	6	120.1420	3.321	9	120.8211	5.225	18	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:3:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[3,5,6]C[3,5]C[3,6]C[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[5,6a]H)(COO)	C[6a](C[3,5,6]C[3,5]C[3,6]C[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[5,6a]H)(COO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	123.6790	0.000	1	123.6790	0.000	1	123.6790	0.000	1	123.6790	0.000	1	120.8211	5.225	18	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,6]	C[6a]	4:3:3:	5:4:3:3:	3:3:1:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]F)2	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[6a]F)(F)	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,5|C<3>}	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,9|C<3>}	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[6a]F)(F){1|B<5>,1|C<4>,2|C<3>,2|F<1>}	121.9585	3.550	2	121.9585	12.605	2	121.9585	12.605	2	121.4025	9.173	6	120.8211	5.225	18	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5,6]	C[6a]	4:3:3:	5:4:3:3:	3:3:1:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]H)2	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(H){1|B<5>,1|C<4>,2|C<3>,2|H<1>}	121.1245	3.283	4	121.1245	10.778	4	121.1245	10.778	4	121.4025	9.173	6	120.8211	5.225	18	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:C[3,5]-4:C[3,5]-4:C[3]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,5]2C[3])(C[6a]C[6a,6a]H)	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,5]2C[3])(C[6a]C[6a,6a]H){2|C<4>,4|H<1>,6|C<3>}	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH){3|C<3>,7|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3,5]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	120.5540	0.000	1	120.5540	0.000	1	120.5540	0.000	1	120.5540	0.000	1	120.5540	0.000	1	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6a,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:C[3,5]-4:C[3,5]-4:C[3]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,5]2C[3])(C[6a]C[6a,6a]H)	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[3,5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,5]2C[3])(C[6a]C[6a,6a]H){2|C<4>,4|H<1>,6|C<3>}	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH){3|C<3>,7|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[3,5])(H){1|H<1>,3|C<4>,4|C<3>}	120.1510	0.000	1	120.1510	0.000	1	120.1510	0.000	1	120.1510	0.000	1	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[5,6a]N[3,5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[5,6a]N[3,5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5]){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	117.9870	0.000	1	117.9870	0.000	1	117.9870	0.000	1	117.9870	0.000	1	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[3,5]C[5,6a]N[3,5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CHO)	C[6a](C[3,5]C[5,6a]N[3,5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5]){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CHO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.4260	0.000	1	122.4260	0.000	1	122.4260	0.000	1	122.4260	0.000	1	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:C[3]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,4|C<3>}	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6075	1.115	2	120.6075	1.243	2	120.6075	1.243	2	120.6075	1.243	2	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC){3|C<3>,4|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7095	0.523	2	120.7095	0.273	2	120.5572	1.799	4	120.5572	1.799	4	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.4050	2.243	2	120.4050	5.031	2	120.5572	1.799	4	120.5572	1.799	4	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[3]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]O[3]O[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]O[3]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.2310	0.000	1	120.2310	0.000	1	120.0070	0.100	2	120.0070	0.100	2	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[3]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]O[3]O[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[3,5]C[3,5]O[3]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.7830	0.000	1	119.7830	0.000	1	120.0070	0.100	2	120.0070	0.100	2	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[3]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.2430	0.000	1	119.2430	0.000	1	119.2430	0.000	1	119.2430	0.000	1	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:2:3:	3:3:4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[3]-2:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:N[3]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]N[3]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]N[3]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	118.5780	0.000	1	118.5780	0.000	1	118.5780	0.000	1	118.5780	0.000	1	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:N[3]-3:O[5]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[3,5]C[3,5]N[3]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[3,5]C[3,5]N[3]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.2500	0.000	1	124.2500	0.000	1	124.2500	0.000	1	124.2500	0.000	1	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5]N[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5]N[3])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.6163	0.498	4	120.6163	0.248	4	120.6163	0.248	4	120.5650	0.204	8	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:C[6a]-3:N[3]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]N[3]N[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]N[3]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.3565	0.039	2	120.3565	0.002	2	120.3565	0.002	2	120.5650	0.204	8	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3,5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,5|C<3>}	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	120.6710	0.752	2	120.6710	0.566	2	120.6710	0.566	2	120.5650	0.204	8	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3,5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){4|H<1>,5|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8945	2.037	2	120.8945	4.150	2	120.8945	4.150	2	120.8945	4.150	2	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5]){3|H<1>,5|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.9360	0.000	1	121.9360	0.000	1	120.7953	3.400	3	120.7953	3.400	3	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5]){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.2250	2.202	2	120.2250	4.848	2	120.7953	3.400	3	120.7953	3.400	3	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:2:	3:3:3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5]){3|H<1>,5|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	117.6510	0.000	1	117.6510	0.000	1	117.6510	0.000	1	117.6510	0.000	1	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5,6]C[5,6a]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5,6]C[5,6a]C[3])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1250	0.888	2	121.1250	0.789	2	121.1250	0.789	2	120.8962	1.220	6	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7818	1.311	4	120.7818	1.719	4	120.7818	1.719	4	120.8962	1.220	6	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6]-4:O[3]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5,6]C[5,6]O[3])(C[6a]C[6a]H)2	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5,6]C[5,6]O[3])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2695	1.240	2	120.2695	1.537	2	120.2695	1.537	2	120.2695	1.537	2	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]O[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0340	3.421	2	121.0340	11.703	2	121.0340	11.703	2	120.7297	2.222	8	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,6]O[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,6]O[3])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5]){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6765	1.183	2	120.6765	1.399	2	120.6765	1.399	2	120.7297	2.222	8	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5]){2|H<1>,6|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6120	1.387	2	120.6120	1.925	2	120.6043	0.734	4	120.7297	2.222	8	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5])	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5965	0.525	2	120.5965	0.276	2	120.6043	0.734	4	120.7297	2.222	8	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]H)2	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Se<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7500	1.855	2	120.7500	3.443	2	120.7500	3.443	2	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5,5]C[3,5]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5,5]C[3,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.2180	0.850	4	120.2180	0.722	4	120.2180	0.722	4	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5,6,6]-4:C[3,6,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5,6,6]C[3,6,6]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5,6,6]C[3,6,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O){1|S<4>,2|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4435	2.727	2	120.4435	7.438	2	120.4435	7.438	2	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3785	3.339	4	120.3785	11.148	4	120.3785	11.148	4	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	120.3990	0.000	1	120.3990	0.000	1	120.3990	0.000	1	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	122.0380	0.000	1	122.0380	0.000	1	120.7649	1.609	7	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6685	1.486	2	120.6685	2.207	2	120.7649	1.609	7	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	119.2510	0.000	1	119.2510	0.000	1	120.7649	1.609	7	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5020	0.000	1	121.5020	0.000	1	120.7649	1.609	7	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	121.8220	0.000	1	121.8220	0.000	1	120.7649	1.609	7	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	119.4040	0.000	1	119.4040	0.000	1	120.7649	1.609	7	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7005	1.269	4	120.7005	1.610	4	120.7005	1.610	4	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]S[5]W)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|S<2>,1|W<6>,3|H<1>,4|C<3>}	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]S[5]W)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	120.2055	0.520	4	120.2055	0.271	4	120.2055	0.271	4	120.5054	2.344	28	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,6|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8720	1.431	2	120.8720	2.048	2	120.7257	1.150	14	120.6499	1.070	16	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6a]C[6a]2)(C[5]C[5]HN)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6a]C[6a]2)(C[5]C[5]HN){2|C<3>,6|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	121.0070	2.435	2	121.0070	5.931	2	120.7257	1.150	14	120.6499	1.070	16	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9095	1.893	2	120.9095	3.583	2	120.7257	1.150	14	120.6499	1.070	16	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]O[5]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7175	0.317	2	120.7175	0.101	2	120.7257	1.150	14	120.6499	1.070	16	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<4>,3|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.4505	0.315	2	120.4505	0.099	2	120.7257	1.150	14	120.6499	1.070	16	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,7|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH){2|C<3>,6|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	120.6175	1.155	2	120.6175	1.333	2	120.7257	1.150	14	120.6499	1.070	16	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.5060	1.146	2	120.5060	1.312	2	120.7257	1.150	14	120.6499	1.070	16	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,6|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.1195	0.680	2	120.1195	0.462	2	120.1195	0.462	2	120.6499	1.070	16	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]2C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3,5]C[3]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]2C[3])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,6|H<1>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3495	0.920	2	121.3495	0.846	2	121.3495	0.846	2	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[3,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[3,5]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.8660	0.000	1	120.8660	0.000	1	120.8660	0.000	1	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.9570	0.610	2	120.9570	0.372	2	120.7072	4.890	20	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7830	3.874	2	120.7830	15.004	2	120.7072	4.890	20	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|O<1>,3|H<1>,8|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8380	3.951	2	120.8380	15.613	2	120.7072	4.890	20	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.5267	1.454	4	120.5267	2.115	4	120.7072	4.890	20	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,8|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.5305	1.561	4	120.6597	3.592	6	120.7072	4.890	20	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){3|C<4>,4|H<1>,7|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9180	3.233	2	120.6597	3.592	6	120.7072	4.890	20	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,6|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|N<2>,2|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7308	3.526	4	120.7308	12.431	4	120.7072	4.890	20	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.6060	2.319	2	121.6060	5.379	2	121.0877	2.726	6	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]HH)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{4|C<3>,6|H<1>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]HH)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.0860	2.652	2	121.0860	7.031	2	121.0877	2.726	6	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.5710	0.385	2	120.5710	0.148	2	121.0877	2.726	6	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|H<1>,5|C<3>}	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7855	1.829	2	120.7855	3.346	2	120.7398	2.583	8	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7300	2.440	2	120.7300	5.951	2	120.7398	2.583	8	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,8|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.6315	2.669	2	120.7218	2.926	4	120.7398	2.583	8	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|H<1>,8|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8120	1.273	2	120.7218	2.926	4	120.7398	2.583	8	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,5]C[3,5]C[5,6]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,5]C[3,5]C[5,6]C[3])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,6|H<1>}	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5600	4.312	2	121.5600	18.593	2	121.5600	18.593	2	120.8532	3.853	39	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[3,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[3,5]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>,3|C<4>}	119.7910	0.000	1	119.7910	0.000	1	119.7910	0.000	1	119.7910	0.000	1	120.6398	2.434	129	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6,6]C[3,6]2C[6,6])(C[6a]C[6a]H)2	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6,6]C[6,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[3,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6,6]C[3,6]2C[6,6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6,6]C[6,6]O)(C[6a]C[6a]2){4|C<3>,5|H<1>}	C[6a](C[6a]C[3,6,6]C[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	120.5835	1.348	2	120.5835	1.818	2	120.5835	1.818	2	120.5835	1.818	2	121.0945	1.237	14	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[3,6]-4:C[3,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6,6]C[3,6]2C[6,6])(C[6a]C[6a]H)2	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[3,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6,6]C[3,6]2C[6,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[6a](C[6a]C[3,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	120.7470	3.015	2	121.1797	1.241	12	121.1797	1.241	12	121.1797	1.241	12	121.0945	1.237	14	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3,6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[3,6]-4:C[3,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6,6]C[3,6]2C[6,6])(C[6a]C[6a]H)2	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[3,6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6,6]C[3,6]2C[6,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[6a](C[6a]C[3,6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.2662	0.676	10	121.1797	1.241	12	121.1797	1.241	12	121.1797	1.241	12	121.0945	1.237	14	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a,6a]	3:4:3:	4:3:4:4:	3:3:3:	C[6a,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:C[6a]-3:C[3]-4:C[6]-4:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH)	C[6a,6a](C[6a]C[3,6]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH){3|H<1>,5|C<3>}	C[6a,6a](C[6a]C[3,6]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	3:4:3:	4:3:4:4:	3:3:1:	C[6a,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:C[6a]-3:C[3]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH)	C[6a](C[6a]C[6a,6a]C[3,6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[3,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	118.6910	0.000	1	118.6910	0.000	1	118.6910	0.000	1	118.6910	0.000	1	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[3,6]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[5a,6]N[3,6]C[3])(C[6a]C[6a]H)2	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[5a,6]N[3,6]C[3])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.7100	0.771	2	120.7100	0.594	2	120.7100	0.594	2	120.7100	0.594	2	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	N[3,6]-3:C[3]-4:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]N[3,6]C[3]O[6])(C[6a]C[6a]H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]N[3,6]C[3]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.2270	2.212	2	120.2270	4.892	2	120.2270	4.892	2	120.2270	4.892	2	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	N[3,6]-3:C[3]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]N[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]N[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,6|H<1>}	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5658	2.699	4	120.5658	7.283	4	120.5658	7.283	4	120.5658	7.283	4	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[5a,6]C[3,6]C[3])(C[6a]C[6a]H)2	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[5a,6]C[3,6]C[3])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	120.9345	1.688	2	120.9345	2.849	2	120.9345	2.849	2	120.8290	1.032	4	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[6,6]C[3])(C[6a]C[6a]H)2	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[6,6]C[3])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7235	0.449	2	120.7235	0.202	2	120.7235	0.202	2	120.8290	1.032	4	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:O[3]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]N[6]O[3])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]N[6]O[3])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.2760	0.434	2	120.2760	0.188	2	120.2760	0.188	2	120.2760	0.188	2	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-3:C[6a]-3:N[3]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[6]N[3])(C[6a]C[6a]H)2	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[6]N[3])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4505	0.549	2	120.4505	0.302	2	120.4505	0.302	2	120.4505	0.302	2	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:C[6]-4:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[6]O[3])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[3]C[3,6])	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[6]O[3])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[3]C[3,6]){4|C<3>,4|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5300	0.373	2	121.5300	0.139	2	121.5300	0.139	2	121.5300	0.139	2	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	118.0580	0.000	1	118.0580	0.000	1	119.9398	1.187	5	119.9398	1.187	5	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]H)2	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.5460	0.301	2	120.4102	0.107	4	119.9398	1.187	5	119.9398	1.187	5	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]H)2	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2745	0.394	2	120.4102	0.107	4	119.9398	1.187	5	119.9398	1.187	5	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:2:3:	3:3:4:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6760	0.000	1	121.6760	0.000	1	121.6760	0.000	1	121.6760	0.000	1	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[5,6]O[3])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6])	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[5,6]O[3])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7650	3.917	2	120.7650	15.346	2	120.7650	15.346	2	120.8585	5.226	4	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-4:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[6]O[3])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(O[3]C[3,6])	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[6]O[3])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9520	0.544	2	120.9520	0.296	2	120.9520	0.296	2	120.8585	5.226	4	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7790	2.452	4	120.7790	6.012	4	120.4979	2.125	12	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4945	1.358	2	120.4945	1.845	2	120.4979	2.125	12	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.2725	1.211	2	120.2725	1.467	2	120.4979	2.125	12	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3312	0.706	4	120.3312	0.498	4	120.4979	2.125	12	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.9220	0.471	2	120.9220	0.222	2	120.9220	0.222	2	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6,6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6335	2.319	2	120.6335	5.376	2	120.6335	5.376	2	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8275	1.196	2	120.8275	1.430	2	120.9317	0.710	12	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,6|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	121.2700	0.765	2	121.2700	0.585	2	120.9317	0.710	12	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.9285	1.225	2	120.8731	0.788	8	120.9317	0.710	12	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8547	0.895	6	120.8731	0.788	8	120.9317	0.710	12	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[3]N[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[3]N[6])(C[6a]C[6a]H)2{3|C<3>,6|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.9016	0.701	10	120.9016	0.491	10	120.9016	0.491	10	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|O<1>,4|C<3>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7535	0.042	2	120.7535	0.002	2	120.7535	0.002	2	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7800	2.070	4	120.7800	4.286	4	120.7800	4.286	4	120.7707	1.291	44	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,5,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,5,6]C[3]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,6|H<1>}	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.5340	1.820	2	120.5340	3.313	2	120.5340	3.313	2	120.6905	2.111	8	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,6|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9210	3.035	2	120.9210	9.211	2	120.7427	2.280	6	120.6905	2.111	8	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,6|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H){1|C<4>,2|C<3>,2|N<3>,7|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1765	0.730	2	121.1765	0.534	2	120.7427	2.280	6	120.6905	2.111	8	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.6130	0.000	1	120.6130	0.000	1	120.7427	2.280	6	120.6905	2.111	8	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]N)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,3|C<4>}	119.6480	0.000	1	119.6480	0.000	1	120.7427	2.280	6	120.6905	2.111	8	120.6778	1.655	81	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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]C[6])(C[3]C[3]2H)	C[3](C[6a]C[6,6a]C[6a])(C[3]C[3]HH)2(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C[3])(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(C[3]C[3]2H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,4|H<1>}	C[3](C[6a]C[6,6a]C[6a])(C[3]C[3]HH)2(H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C[3])(C[6]C[6,6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	117.4990	0.000	1	117.4990	0.000	1	117.4990	0.000	1	117.4990	0.000	1	117.4990	0.000	1	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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]2)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2H){5|C<3>,6|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	118.2010	0.000	1	118.2010	0.000	1	118.6773	1.058	17	118.6773	1.058	17	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|H<1>,6|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	118.0293	0.970	4	118.0293	0.940	4	118.6773	1.058	17	118.6773	1.058	17	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HN)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,3|H<1>,5|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HN)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	117.7840	0.000	2	117.7840	0.000	2	118.6773	1.058	17	118.6773	1.058	17	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,6|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	120.0270	0.822	4	120.0270	0.675	4	118.6773	1.058	17	118.6773	1.058	17	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|H<1>,6|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	118.7490	0.000	1	118.7490	0.000	1	118.6773	1.058	17	118.6773	1.058	17	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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]N[6a])(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H){1|C<4>,5|C<3>,5|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	118.7160	0.000	1	118.3175	0.318	2	118.6773	1.058	17	118.6773	1.058	17	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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]N[6a])(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H){5|C<3>,6|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	117.9190	0.000	1	118.3175	0.318	2	118.6773	1.058	17	118.6773	1.058	17	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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]O[6a])(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(C[3]C[3]2H){5|C<3>,5|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.3740	0.133	2	118.3740	0.018	2	118.6773	1.058	17	118.6773	1.058	17	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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]N[6a]C)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(C[3]C[3]2H){1|C<4>,3|C<3>,5|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|C<4>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	119.3880	0.000	1	119.3880	0.000	1	118.6773	1.058	17	118.6773	1.058	17	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[3]N[3]O[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[3]N[3]O[3]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	120.4130	0.191	4	120.4130	0.036	4	120.4130	0.036	4	120.4130	0.036	4	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	118.3630	0.000	1	118.3630	0.000	1	118.3630	0.000	1	118.3630	0.000	1	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]N[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]N[3]H)(C[6a]C[6a]H){1|Cl<1>,1|S<3>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.9360	0.000	1	118.9360	0.000	1	118.9360	0.000	1	118.9360	0.000	1	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3,6]-4:C[6a]-3:C[3,6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3,6]2H)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3,6]2H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H){1|H<1>,2|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[3])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	118.4830	0.000	1	118.4830	0.000	1	118.4830	0.000	1	118.4830	0.000	1	118.9562	1.192	24	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	2:3:4:	3:4:4:1:	3:3:1:	N[6a]-2:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C[3])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C[3])(H){1|H<1>,2|C<3>,2|C<4>}	119.6290	0.000	1	119.6290	0.000	1	119.6290	0.000	1	123.5943	12.509	3	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	2:3:4:	3:4:4:1:	3:3:1:	S[6a]-2:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]S[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C[3])(H)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	C[3](C[6a]C[6a]S[6a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C[3])(H){1|H<1>,2|C<3>,2|C<4>}	125.5770	1.196	2	125.5770	1.431	2	125.5770	1.431	2	123.5943	12.509	3	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	2:3:4:	3:4:4:1:	3:3:4:	N[6a]-2:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(C[3]C[3]2H)	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C[3])(CHHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C[3])(CHHO){1|H<1>,2|C<4>,4|C<3>}	119.8120	0.008	2	119.8120	0.000	2	119.8120	0.000	2	119.8120	0.000	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	2:3:4:	3:4:4:2:	3:3:1:	N[6a]-2:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C){3|C<3>,4|H<1>}	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3])(H){1|C<2>,2|C<3>,2|C<4>}	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:N[3]-2:N[3]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](C[6a]C[6a]2)(N[3]N[3])2(CF3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(N[3]N[3])2(CF3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<2>}	120.7168	1.543	4	120.7168	2.382	4	120.7168	2.382	4	120.7168	2.382	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-3:C[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3])(C[3]Si[5]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Si<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3])(C[3]Si[5]C[3])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.0680	1.178	2	121.0680	1.388	2	121.0680	1.388	2	121.0680	1.388	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-3:C[3]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3])2(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3])2(C[6a]C[6a]2)(CN){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<2>,2|H<1>,3|C<3>}	120.5815	0.312	2	120.5815	0.097	2	120.5815	0.097	2	120.5815	0.097	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-3:C[6a]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,4|C<3>}	121.1520	0.091	2	120.9082	0.840	8	120.8370	0.919	10	120.7613	1.165	14	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-3:C[6a]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8270	1.069	6	120.9082	0.840	8	120.8370	0.919	10	120.7613	1.165	14	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-3:C[6a]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]Si)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Si<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]Si)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.5520	1.479	2	120.5520	2.188	2	120.8370	0.919	10	120.7613	1.165	14	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]C)(C[3]C[3]H)(CN[5]O)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]C)(C[3]C[3]H)(CN[5]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8310	0.164	2	120.8310	0.027	2	120.8310	0.027	2	120.7613	1.165	14	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	N[3]-3:N[3]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](N[3]C[6a]N[3])2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){2|H<1>,3|C<3>}	C[3](N[3]C[6a]N[3])2(C[6a]C[6a]2)(COO){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	120.3130	2.526	2	120.3130	6.380	2	120.3130	6.380	2	120.7613	1.165	14	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:N[3]-3:N[3]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,1|C<4>,3|H<1>}	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.1390	0.460	2	120.1390	0.211	2	120.1390	0.211	2	120.1776	0.913	8	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,1|C<4>,3|H<1>}	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.1915	1.250	4	120.1915	1.562	4	120.1905	1.236	6	120.1776	0.913	8	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,1|C<4>,3|H<1>}	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.1885	1.221	2	120.1885	1.491	2	120.1905	1.236	6	120.1776	0.913	8	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]C)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]C)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.6955	5.622	2	121.6955	31.609	2	121.6972	10.900	4	121.6972	10.900	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6990	1.044	2	121.6990	1.089	2	121.6972	10.900	4	121.6972	10.900	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	120.6405	0.921	2	120.6405	0.849	2	120.6405	0.849	2	120.6405	0.849	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:2:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[3]C[3]2H){1|O<2>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	123.0750	0.351	2	123.0750	0.123	2	123.0750	0.123	2	123.0750	0.123	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	C[3](C[6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[3])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(C[3]C[3]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[3](C[6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[3])(H){2|H<1>,3|C<3>,3|C<4>}	123.3630	0.000	1	123.3630	0.000	1	123.3630	0.000	1	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|H<1>,6|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.7272	1.256	4	121.7272	1.579	4	121.7132	0.692	11	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HN)(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,3|H<1>,5|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HN)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.1510	0.000	2	122.1510	0.000	2	121.7132	0.692	11	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,6|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.3888	0.644	4	121.3888	0.414	4	121.7132	0.692	11	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|H<1>,6|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.0790	0.000	1	122.0790	0.000	1	121.7132	0.692	11	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2F)	C[3](C[6a]C[6a]2)(C[3]C[3]FH)(C[3]C[3]FI)(F)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2F){1|C<3>,1|I<1>,2|F<1>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]FH)(C[3]C[3]FI)(F){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	121.8020	2.353	2	121.8020	5.538	2	121.8020	5.538	2	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H){2|C<4>,3|C<3>,3|H<1>}	122.0252	2.785	4	122.0252	7.757	4	122.0252	7.757	4	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	120.7700	0.000	1	120.7700	0.000	1	120.5273	0.366	3	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	120.9730	0.000	1	120.9730	0.000	1	120.5273	0.366	3	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	119.8390	0.000	1	119.8390	0.000	1	120.5273	0.366	3	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(C[3]C[3]2H){1|C<2>,2|C<3>,2|F<1>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	122.1535	2.272	2	122.1535	5.162	2	122.1535	5.162	2	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	115.4390	0.000	1	115.4390	0.000	1	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-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[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H){2|C<3>,2|C<4>,2|H<1>}	119.4865	2.724	4	119.4865	7.421	4	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9550	0.000	1	120.9550	0.000	1	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2130	0.000	1	121.2130	0.000	1	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.6020	0.000	1	121.6020	0.000	1	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(H){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	121.3605	0.639	2	121.3605	0.408	2	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.8650	0.000	1	122.8650	0.000	1	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.0770	1.078	2	122.3043	0.736	3	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.7590	0.000	1	122.3043	0.736	3	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Cl<1>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.5240	1.416	2	122.5240	2.004	2	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|O<2>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0830	0.000	1	123.0640	0.001	2	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0450	0.000	1	123.0640	0.001	2	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[3]C[3]2H){1|O<2>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|N<2>,2|C<4>,3|H<1>}	119.1375	0.234	2	119.1375	0.055	2	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.1400	0.000	1	120.5935	7.142	29	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.6335	2.842	2	120.5935	7.142	29	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8695	1.423	2	120.5935	7.142	29	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.3805	0.913	2	120.5935	7.142	29	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9845	3.066	4	120.5935	7.142	29	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6855	4.758	2	120.5935	7.142	29	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7025	4.492	2	120.5935	7.142	29	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,2|C<4>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9485	3.498	8	120.5935	7.142	29	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|H<1>,4|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.1672	2.160	6	120.5935	7.142	29	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	123.0280	0.000	1	123.0280	0.000	1	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Br<1>,1|C<2>,1|H<1>,1|S<4>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	121.2760	0.000	1	121.2760	0.000	1	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Br<1>,1|C<2>,1|H<1>,1|S<4>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.1160	0.000	1	119.1160	0.000	1	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.6245	3.811	2	121.2025	5.271	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7990	2.878	2	121.2025	5.271	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7935	3.515	2	121.2025	5.271	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0635	2.362	6	121.2025	5.271	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0845	3.149	4	121.2025	5.271	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.1040	0.000	1	121.2025	5.271	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2109	2.211	22	121.2025	5.271	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	117.9000	0.000	1	117.9000	0.000	1	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HN)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HN)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.0440	0.652	2	120.0440	0.425	2	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HS)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,1|S<4>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HS)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4535	4.040	2	120.4535	16.319	2	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,1|H<1>,2|C<2>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	116.2250	0.000	1	116.2250	0.000	1	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|H<1>,4|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9425	4.699	2	121.9183	13.896	3	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,1|H<1>,2|C<2>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.8700	0.000	1	121.9183	13.896	3	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]FH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]FH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8985	3.054	2	120.7188	5.506	6	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]FH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]FH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.6290	2.457	4	120.7188	5.506	6	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	117.8110	0.000	1	117.8110	0.000	1	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.3625	2.221	4	121.1692	3.720	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5930	2.476	2	121.1692	3.720	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1334	1.233	8	121.1692	3.720	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	124.4480	0.000	1	121.1692	3.720	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7415	2.291	4	121.1692	3.720	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7703	2.435	6	121.1692	3.720	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.8695	2.822	2	121.1692	3.720	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9996	2.163	8	121.1692	3.720	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5312	1.702	4	121.1692	3.720	39	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8130	3.196	2	120.8130	10.215	2	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2685	4.188	4	120.9712	7.059	24	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8360	2.806	10	120.9712	7.059	24	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9522	1.168	4	120.9712	7.059	24	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9137	2.463	4	120.9712	7.059	24	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2055	3.992	2	120.9712	7.059	24	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9445	2.740	10	120.9445	7.505	10	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|P<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5825	1.904	2	121.5825	3.626	2	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]3)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,2|C<4>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]3)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9685	1.568	2	120.9685	2.458	2	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|P<4>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7835	2.485	2	120.9822	3.495	6	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|P<4>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0815	1.930	4	120.9822	3.495	6	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HS)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|S<4>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HS)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3925	2.875	4	120.3925	8.266	4	120.9295	5.448	196	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	C[3](C[6a]N[5a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H){4|C<3>,4|H<1>}	C[3](C[6a]N[5a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	127.8245	0.252	2	127.8245	0.064	2	127.8245	0.064	2	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H)	C[3](C[6a]N[5a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(I)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H){4|C<3>,4|H<1>}	C[3](C[6a]N[5a,6a]C[6a])(C[3]C[3]HH)2(H){1|I<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(I){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	126.5370	0.000	1	126.5370	0.000	1	126.5370	0.000	1	121.0998	5.641	222	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:O[6a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(O[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(C[3]C[3]2H){5|C<3>,5|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	123.0840	0.478	2	123.0840	0.228	2	123.0840	0.228	2	119.7522	3.570	11	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N[6])(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(H){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N[6])(CN){1|C<3>,3|H<1>,4|C<4>}	120.3435	0.733	2	120.3435	0.538	2	120.3435	0.538	2	119.7522	3.570	11	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Cl<1>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.1970	0.000	1	119.1970	0.000	1	118.6313	0.540	7	119.7522	3.570	11	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	118.0490	0.000	1	118.0523	0.227	3	118.6313	0.540	7	119.7522	3.570	11	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Cl<1>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	117.5780	0.000	1	118.0523	0.227	3	118.6313	0.540	7	119.7522	3.570	11	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	118.5300	0.000	1	118.0523	0.227	3	118.6313	0.540	7	119.7522	3.570	11	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	118.4500	0.000	1	118.6260	0.062	2	118.6313	0.540	7	119.7522	3.570	11	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|O<2>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	118.8020	0.000	1	118.6260	0.062	2	118.6313	0.540	7	119.7522	3.570	11	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	119.8130	0.000	1	119.8130	0.000	1	118.6313	0.540	7	119.7522	3.570	11	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2H){5|C<3>,6|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){4|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	122.2280	0.000	1	122.2280	0.000	1	122.2280	0.000	1	122.3483	4.394	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H){1|C<4>,5|C<3>,5|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	122.6270	0.000	1	122.6270	0.000	1	123.1485	0.544	2	122.3483	4.394	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H){5|C<3>,6|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	123.6700	0.000	1	123.6700	0.000	1	123.1485	0.544	2	122.3483	4.394	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[3])(CCC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(C[3]C[3]2H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[3])(CCC){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	122.3483	4.394	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4: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[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[3])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	124.9530	0.000	1	124.9530	0.000	1	124.9530	0.000	1	122.3483	4.394	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	121.8880	0.000	1	121.8880	0.000	1	121.8880	0.000	1	122.3483	4.394	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a,6a]C[3])(N[6a]C[6a]C)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(C[3]C[3]2H){1|C<4>,3|C<3>,5|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(N[6a]C[6a]C)(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.4050	0.000	1	121.4050	0.000	1	121.4050	0.000	1	120.9665	0.385	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]O)(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(C[3]C[3]2H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	120.5280	0.000	1	120.5280	0.000	1	120.5280	0.000	1	120.9665	0.385	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(C[3]C[3]2H)	C[3](C[6a]C[6,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6,6a]C[3])(C[6a]O[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(C[3]C[3]2H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,4|H<1>}	C[3](C[6a]C[6,6a]C[6a])(C[3]C[3]HH)2(H){1|C<4>,3|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6,6a]C[3])(C[6a]O[6a]O){1|H<1>,2|C<4>,5|C<3>}	124.3430	0.000	1	124.3430	0.000	1	124.3430	0.000	1	124.3430	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(CC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[3]C[3]2C){2|H<1>,3|C<3>,4|C<4>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(CC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	119.2277	6.162	3	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]NO)(OSi)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]NO)(OSi){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2990	2.332	2	120.2990	5.438	2	120.2990	5.438	2	119.2277	6.162	3	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(CC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[3]C[3]2C){2|H<1>,3|C<3>,4|C<4>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(CC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	124.3570	0.000	1	124.3570	0.000	1	124.3570	0.000	1	124.3570	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[3])(H){1|O<2>,2|C<3>,4|C<4>}	117.9340	0.000	1	117.9340	0.000	1	117.9340	0.000	1	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	122.2900	0.000	1	122.2900	0.000	1	122.0093	0.218	4	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	121.9157	0.523	3	121.9157	0.274	3	122.0093	0.218	4	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	120.8660	0.000	1	120.8660	0.000	1	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|Cl<1>,2|C<3>,2|C<4>}	121.4953	0.237	3	121.4953	0.056	3	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4076	1.357	12	120.4076	1.843	12	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,2|C<4>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0835	0.626	2	120.7488	0.442	6	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.4615	0.431	2	120.7488	0.442	6	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.7015	1.112	2	120.7488	0.442	6	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8653	1.885	4	120.8653	3.555	4	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CN[5]O)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CN[5]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7800	3.799	2	120.7800	14.429	2	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.6120	1.090	2	120.6120	1.189	2	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6565	0.507	2	120.6565	0.257	2	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HI)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|I<1>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HI)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7348	2.885	6	120.7348	8.326	6	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,1|C<3>,1|N<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	119.4940	0.000	1	119.4940	0.000	1	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Cl<1>,1|C<3>,1|N<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	120.6840	0.000	1	120.6840	0.000	1	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,1|C<3>,1|N<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.7560	0.000	1	121.0150	0.677	4	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|N<3>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	120.9000	1.093	2	121.0150	0.677	4	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Cl<1>,1|C<3>,1|N<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5040	0.000	1	121.0150	0.677	4	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	120.9313	0.369	4	120.9313	0.136	4	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[5]O)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[5]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.9830	0.023	2	119.9830	0.001	2	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[6]O)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[6]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6795	3.256	2	120.6795	10.603	2	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|N<3>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9830	0.000	1	120.9830	0.000	1	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|N<3>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>,2|H<1>}	120.3620	0.000	1	120.3620	0.000	1	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,2|O<2>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.7400	1.703	2	119.7400	2.899	2	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,6|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	120.9605	3.120	2	120.9605	9.737	2	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,6|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7565	0.985	2	120.7565	0.970	2	120.6708	2.131	60	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(NHS)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N){1|C<3>,2|C<4>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(NHS){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.1025	1.303	2	121.1025	1.698	2	121.1025	1.698	2	120.7228	2.166	67	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:3:	3:3:4:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]H)(CCHO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]H)(CCHO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.3940	0.000	1	122.3940	0.000	1	122.3940	0.000	1	122.3940	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]O)(C[3]C[3]2C)	C[3](C[6a]C[5a,6a]C[6a])(C[3]C[3]CC)2(CH3)	C[6a](C[6a]C[5a,6a]C[3])(C[6a]C[6a]C)(O)	C[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]O)(C[3]C[3]2C){2|C<4>,3|C<2>,3|C<3>}	C[3](C[6a]C[5a,6a]C[6a])(C[3]C[3]CC)2(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]C[3])(C[6a]C[6a]C)(O){1|S<2>,2|N<3>,3|C<4>}	119.5740	0.000	1	119.5740	0.000	1	119.5740	0.000	1	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4: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[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){3|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H){2|H<1>,3|C<3>,3|C<4>}	121.5940	0.000	1	121.5940	0.000	1	121.7183	0.120	3	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4: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[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){1|P<4>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H){2|H<1>,3|C<3>,3|C<4>}	121.4520	0.000	1	121.4520	0.000	1	121.7183	0.120	3	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4: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[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H){2|H<1>,3|C<3>,3|C<4>}	122.1090	0.000	1	122.1090	0.000	1	121.7183	0.120	3	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){3|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H){1|H<1>,2|C<3>,3|C<4>}	121.0110	0.000	1	121.0110	0.000	1	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){1|P<4>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H){1|H<1>,2|C<3>,3|C<4>}	120.0620	0.000	1	120.0620	0.000	1	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H){1|H<1>,2|C<3>,3|C<4>}	119.6350	0.000	1	119.6350	0.000	1	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	121.8070	0.000	1	121.8070	0.000	1	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<2>,1|C<3>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	120.7560	0.873	2	121.1244	1.373	25	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	120.2780	0.000	1	121.1244	1.373	25	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1964	1.217	22	121.1244	1.373	25	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|O<2>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.9928	1.136	4	120.9928	1.290	4	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7425	0.664	2	120.7733	3.687	4	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.8040	3.258	2	120.7733	3.687	4	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|P<4>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.5165	1.812	2	121.5165	3.284	2	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	121.2280	1.054	2	121.2280	1.110	2	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CHHO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CHHO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	121.2835	0.261	2	121.2835	0.068	2	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]NP)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|N<3>,1|P<4>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]NP)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.6764	1.260	8	120.6764	1.588	8	121.0031	1.382	51	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2P)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2B)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2P){1|C<3>,6|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2B){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	120.6575	1.439	2	120.6575	2.071	2	120.8545	0.742	4	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[3]-4:C[3]-4:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2P)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2N)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2P){1|C<3>,6|H<1>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2N){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	121.0515	0.009	2	121.0515	0.000	2	120.8545	0.742	4	121.0051	1.297	59	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])2(H){2|H<1>,3|C<3>,4|C<4>}	121.4617	1.160	4	121.4617	1.345	4	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	121.7650	0.000	1	121.7650	0.000	1	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])2(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,1|C<3>,3|C<4>,4|H<1>}	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])2(H){1|C<3>,2|H<1>,6|C<4>}	121.1490	0.420	4	121.1490	0.176	4	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){2|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.2540	0.000	1	122.2540	0.000	1	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]B[5]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	C[3](C[3]B[5]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8820	1.771	2	120.8820	3.135	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0090	2.650	2	121.0090	7.024	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,2|C<4>,4|H<1>}	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9975	2.821	4	120.9975	7.958	4	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6815	2.194	2	120.6815	4.814	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5205	2.078	2	120.5205	4.319	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[5]H)(C[6a]C[6a]2)(C[3]C[3]FH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[3](C[3]C[3]C[5]H)(C[6a]C[6a]2)(C[3]C[3]FH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9035	2.384	2	120.9035	5.682	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,2|C<4>,4|H<1>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){1|C<4>,2|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1870	3.161	2	121.1870	9.990	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2960	1.194	2	121.2989	11.582	8	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4655	7.544	2	121.2989	11.582	8	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2170	2.748	4	121.2989	11.582	8	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]ClH)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,1|C<3>,5|H<1>}	C[3](C[3]C[3]ClH)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0020	1.383	2	121.0020	1.913	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]N[5]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	C[3](C[3]C[3]N[5]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4955	2.658	2	120.4955	7.065	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|N<3>,5|H<1>}	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6915	2.067	2	121.6915	4.272	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.5055	3.804	2	121.5055	14.467	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Si<4>,2|C<3>,4|H<1>}	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3500	3.933	2	121.3500	15.468	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4520	1.138	2	120.4520	1.296	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[5a]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[3]C[5a]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3620	1.471	2	121.3620	2.163	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H){1|Ge<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4792	3.141	4	121.4792	9.869	4	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7980	6.959	2	121.7980	48.432	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9655	2.863	2	120.9655	8.197	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3995	2.500	2	120.3995	6.248	2	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7975	3.559	2	121.0687	9.381	6	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2043	3.367	4	121.0687	9.381	6	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Br<1>,1|C<2>,2|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	117.6950	0.000	1	117.6950	0.000	1	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Br<1>,1|C<2>,2|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.7740	0.000	1	121.1496	7.429	25	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2145	2.705	2	121.1496	7.429	25	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0750	3.305	2	121.1496	7.429	25	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1350	3.700	2	121.1496	7.429	25	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1085	3.905	2	121.1496	7.429	25	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9538	2.956	14	121.1496	7.429	25	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2735	3.167	2	121.1496	7.429	25	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HN)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HN)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7163	3.498	4	120.7163	12.233	4	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]2H)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]2H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9038	1.942	16	120.9038	3.770	16	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7385	0.521	4	120.7385	0.271	4	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0890	2.603	8	120.9817	4.716	33	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7555	2.237	2	120.9817	4.716	33	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	124.4360	0.000	1	120.9817	4.716	33	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8062	2.020	22	120.9817	4.716	33	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	117.4270	0.000	1	117.4270	0.000	1	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1215	1.018	2	121.1677	6.142	4	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2140	4.169	2	121.1677	6.142	4	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.6480	0.000	1	121.3536	3.676	7	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.8435	2.017	2	121.3536	3.676	7	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.3135	3.553	2	121.3536	3.676	7	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2565	1.773	2	121.3536	3.676	7	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	119.0830	0.000	1	119.0830	0.000	1	121.0209	5.248	160	121.0209	5.248	160	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){2|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	120.0870	0.000	1	120.0870	0.000	1	120.0870	0.000	1	120.0870	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CCH){2|C<3>,2|C<4>,2|H<1>}	119.6977	1.295	4	119.6977	1.677	4	119.6977	1.677	4	119.6977	1.677	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	120.0850	1.972	6	120.0850	3.890	6	120.0850	3.890	6	120.0810	2.184	11	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,1|C<3>,3|C<4>,4|H<1>}	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,1|C<3>,3|C<4>,4|H<1>}	120.3528	0.536	4	120.0762	0.598	5	120.0762	0.598	5	120.0810	2.184	11	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,2|C<3>,2|C<4>,4|H<1>}	118.9700	0.000	1	120.0762	0.598	5	120.0762	0.598	5	120.0810	2.184	11	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN)	C[6a](C[6a]C[6a]C[3])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<2>,3|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]N[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	120.8790	1.847	2	120.8790	3.411	2	120.7525	2.170	4	120.7811	1.338	8	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.6260	1.742	2	120.6260	3.036	2	120.7525	2.170	4	120.7811	1.338	8	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(NN)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N){3|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(NN){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.0375	0.579	2	121.0375	0.335	2	121.0375	0.335	2	120.7811	1.338	8	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O)	C[3](C[3]C[5a]C[3]O)(C[6a]C[6a]2)(C[3]C[3]CH)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3](C[3]C[5a]C[3]O)(C[6a]C[6a]2)(C[3]C[3]CH)(OC){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5820	1.519	2	120.5820	2.307	2	120.5820	2.307	2	120.7811	1.338	8	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,1|B<3>,1|C<3>,4|H<1>}	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CNO){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	119.9480	0.711	2	119.9480	0.506	2	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,1|B<3>,1|C<3>,4|H<1>}	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CNO){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5120	0.530	2	121.5120	0.281	2	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,2|C<3>,4|H<1>}	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6585	1.834	2	120.6585	3.362	2	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Br<1>,2|C<3>,3|H<1>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	120.2855	3.065	2	120.2855	9.396	2	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[5]O)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Cl<1>,1|C<3>,4|H<1>}	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[5]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.1080	1.355	2	121.1080	1.836	2	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[6]O)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Cl<1>,1|C<3>,4|H<1>}	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[6]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.8525	1.398	4	120.8525	1.955	4	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Si<3>,1|C<3>,5|H<1>}	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	120.4125	1.611	2	120.4125	2.597	2	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	121.3705	1.602	2	121.3705	2.565	2	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]B[5]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|B<3>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]B[5]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8255	1.375	2	120.8255	1.892	2	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.4355	1.803	4	120.4355	3.252	4	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5190	1.222	2	120.8007	3.373	8	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){3|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8947	2.093	6	120.8007	3.373	8	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Br<1>,2|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	120.0598	1.850	6	120.0598	3.423	6	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.1215	1.747	2	120.6206	1.032	12	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5204	0.924	10	120.6206	1.032	12	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HN)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HN)(CNO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6105	1.773	4	120.6105	3.144	4	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]N)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<2>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]N)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9425	0.921	2	120.9425	0.849	2	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]Si)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Si<4>,2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]Si)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.6345	2.880	2	120.6345	8.295	2	120.6414	2.033	58	120.6414	2.033	58	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,2|C<3>,4|H<1>}	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.9895	1.662	2	120.9895	2.764	2	120.7006	1.288	10	120.7006	1.288	10	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(CFHH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){3|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(CFHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.6068	1.414	4	120.6068	1.999	4	120.7006	1.288	10	120.7006	1.288	10	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CCHH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.6650	0.744	2	120.6650	0.553	2	120.7006	1.288	10	120.7006	1.288	10	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CF3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CF3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	120.6350	1.437	2	120.6350	2.065	2	120.7006	1.288	10	120.7006	1.288	10	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9020	1.918	4	120.9020	3.680	4	121.1720	4.528	8	121.1720	4.528	8	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,3|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4420	2.587	4	121.4420	6.692	4	121.1720	4.528	8	121.1720	4.528	8	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]3)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]3){2|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH){2|Br<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2067	1.483	4	121.2067	2.201	4	120.9354	1.353	16	120.9354	1.353	16	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:3:4:	4:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[3]C[3]3)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]3){2|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH){2|Cl<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8449	1.100	12	120.8449	1.210	12	120.9354	1.353	16	120.9354	1.353	16	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[3]C[3]2H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]N[6a]C[3])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[3]C[3]2H)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]C[3])(C[6a]N[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	120.8210	0.000	1	120.8210	0.000	1	120.8210	0.000	1	120.8210	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C[3]-4:O[6a]-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[3]C[3]2H)(O[6a]C[6a])	C[3](C[6a]C[6a]O[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[3]C[3]2H)(O[6a]C[6a]){1|O<1>,4|C<3>,4|H<1>}	C[3](C[6a]C[6a]O[6a])(C[3]C[3]HH)2(H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[3])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	127.1240	0.618	4	127.1240	0.382	4	127.1240	0.382	4	126.9400	0.456	5	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C[3]-4:O[6a]-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(O[6a]C[6a])	C[3](C[6a]C[6a]O[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]O[6a]C[3])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(O[6a]C[6a]){1|O<1>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]O[6a])(C[3]C[3]HH)2(H){3|C<3>}	C[6a](C[6a]O[6a]C[3])(C[6a]C[6a]2)(CC[6a]O){1|H<1>,3|C<3>,3|C<4>}	126.2040	0.000	1	126.2040	0.000	1	126.2040	0.000	1	126.9400	0.456	5	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:2:	3:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])(CCHH)	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])(CCHH){1|H<1>,2|C<4>,3|C<3>}	121.4570	0.000	1	121.4570	0.000	1	121.4570	0.000	1	121.4570	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:2:	3:4:4:3:	3:3:1:	C[6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(COO)	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a]){2|C<3>,5|H<1>}	C[3](C[6a]C[6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(COO){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.1140	0.000	1	120.1140	0.000	1	120.1140	0.000	1	120.1140	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[3]N[3]O[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[3]N[3]O[3]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	119.7315	0.198	4	119.7315	0.039	4	119.7315	0.039	4	119.7315	0.039	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:3:4:1:	3:2:1:	C[6a]-3:C[3]-4:C[6a]-3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl)	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.7600	0.000	1	121.7600	0.000	1	121.7600	0.000	1	121.7600	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6a]-3:C[3]-4:C[6a]-3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl)	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.0450	0.000	1	122.0450	0.000	1	122.0450	0.000	1	122.0450	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:2:1:	3:2:1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|C<2>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5920	0.000	1	120.5920	0.000	1	120.9873	0.132	3	120.9873	0.132	3	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:2:1:	3:2:1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1850	0.173	2	121.1850	0.030	2	120.9873	0.132	3	120.9873	0.132	3	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[5,6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]2)(C[3]C[3]O[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H)	C[6a](C[6a]C[5,6a]C[3])(C[6a]C[6a]Cl)(H)	C[6a](C[5,6a]C[5,6a]2)(C[3]C[3]O[3]H)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C[3])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5900	0.000	1	120.5900	0.000	1	120.5900	0.000	1	121.0757	1.526	9	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2090	0.000	1	121.2090	0.000	1	121.2090	0.000	1	121.0757	1.526	9	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.8500	1.400	2	119.8500	1.960	2	121.3806	2.463	5	121.0757	1.526	9	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|C<2>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	122.4040	0.000	1	122.4040	0.000	1	121.3806	2.463	5	121.0757	1.526	9	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H){1|Cl<1>,1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	122.3995	0.288	2	122.3995	0.083	2	121.3806	2.463	5	121.0757	1.526	9	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4895	0.975	2	120.4895	0.951	2	120.4895	0.951	2	121.0757	1.526	9	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]N[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]N[3]H)(C[6a]C[6a]H){1|Cl<1>,1|S<3>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2150	0.000	1	121.2150	0.000	1	121.2150	0.000	1	120.5063	0.559	3	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	120.5063	0.559	3	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5790	0.000	1	120.5790	0.000	1	120.5790	0.000	1	120.5063	0.559	3	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]C)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.5020	0.000	1	119.5020	0.000	1	119.5020	0.000	1	119.7175	0.093	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]C)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[3])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	119.7175	0.093	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3,6]-4:C[6a]-3:C[3,6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3,6]2H)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3,6]2H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H){1|H<1>,2|O<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5870	0.000	1	121.5870	0.000	1	121.5870	0.000	1	121.5870	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	3:4:3:	4:4:3:1:	3:3:1:	C[5,6a]-3:C[3]-4:C[6a]-3:	C[3,6,6]-4:C[3,6,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[3]C[3,6,6]2H)(C[6a]C[6a,6a]H)	C[3](C[3,6,6]C[3,6,6]C[4,6,6]C)(C[3,6,6]C[3,6,6]C[6,6]H)(C[6a]C[5,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[3])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[3]C[3,6,6]2H)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[3](C[3,6,6]C[3,6,6]C[4,6,6]C)(C[3,6,6]C[3,6,6]C[6,6]H)(C[6a]C[5,6a]C[6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[3])(H){2|H<1>,3|C<3>,3|C<4>}	124.5490	0.000	1	124.5490	0.000	1	124.5490	0.000	1	124.5490	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:2:	3:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H)	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	122.3680	0.000	1	122.3680	0.000	1	122.3680	0.000	1	122.3680	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:2:	3:3:3:2:	3:3:1:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[3]-3:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])2(N[3]O[3]C)(O[3]N[3])	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]N[6a])2(N[3]O[3]C)(O[3]N[3]){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.2185	0.530	4	122.2185	0.281	4	122.2185	0.281	4	122.2185	0.281	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:2:	3:3:4:2:	3:3:1:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:P[3]-4:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])2(P[3]O[3]CrC)(O[3]P[3])	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cr<6>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]N[6a])2(P[3]O[3]CrC)(O[3]P[3]){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	119.0080	2.338	2	119.0080	5.465	2	119.0080	5.465	2	119.0080	5.465	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:2:	3:4:2:3:	3:3:1:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.6040	0.000	1	122.6040	0.000	1	122.6040	0.000	1	122.6040	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:2:	4:3:3:2:	3:3:1:	C[3]-4:C[6a]-3:N[6a]-2:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6])	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3540	0.000	1	120.3540	0.000	1	120.3540	0.000	1	120.3540	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-3:C[6a]-3:N[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,3|H<1>}	120.6455	1.421	2	120.6455	2.018	2	120.6455	2.018	2	120.6455	2.018	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-3:C[6a]-3:N[3]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(CN)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(CN){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<2>,1|H<1>,1|N<2>,2|C<3>}	120.9200	2.076	2	120.9200	4.310	2	120.9200	4.310	2	120.6475	1.668	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-3:N[3]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CN)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CN){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<2>,1|H<1>,1|N<2>,2|C<3>}	120.3750	0.629	2	120.3750	0.396	2	120.3750	0.396	2	120.6475	1.668	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-3:N[3]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CCO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CCO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	120.9185	2.126	2	120.9185	4.521	2	120.9185	4.521	2	120.9185	4.521	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-3:C[6a]-3:N[3]-2:Si-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(SiC3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(SiC3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Si<4>,1|N<2>,2|C<3>,2|H<1>}	121.2180	0.187	2	121.2180	0.035	2	121.2180	0.035	2	121.2180	0.035	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-3:N[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]N[3]C)(N[3]C[3])	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[3](C[6a]C[6a]2)2(C[3]N[3]C)(N[3]C[3]){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	120.6569	0.502	8	120.6569	0.252	8	120.6569	0.252	8	120.6569	0.252	8	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-3:C[6a]-3:C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]C[6])(C[6a]C[6a]2)2(C[3]C[3]C)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[3](C[3]C[3]C[6])(C[6a]C[6a]2)2(C[3]C[3]C){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8847	0.727	4	120.8847	0.529	4	120.8847	0.529	4	120.8847	0.529	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6640	1.096	2	120.6640	1.201	2	120.7463	5.515	6	120.7463	5.515	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8810	2.022	2	120.8810	4.090	2	120.7463	5.515	6	120.7463	5.515	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6940	4.715	2	120.6940	22.231	2	120.7463	5.515	6	120.7463	5.515	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[3]-4:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]N[6a]C[3]O[3])(C[6a]C[6a]H)2	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]N[6a]C[3]O[3])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3]){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5965	1.114	2	120.5965	1.240	2	120.5965	1.240	2	120.5965	1.240	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]CH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]CH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9195	1.828	4	120.9195	3.341	4	120.7359	1.091	16	120.7359	1.091	16	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]HH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9475	0.524	4	120.9475	0.275	4	120.7359	1.091	16	120.7359	1.091	16	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]CH)(C[3]C[3]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<2>,3|C<3>,5|H<1>}	C[3](C[6a]C[6a]2)2(C[3]C[3]CH)(C[3]C[3]HH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4290	0.459	4	120.4290	0.211	4	120.7359	1.091	16	120.7359	1.091	16	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]FF)(C[3]C[3]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|F<1>,3|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)2(C[3]C[3]FF)(C[3]C[3]HH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6475	1.177	4	120.6475	1.386	4	120.7359	1.091	16	120.7359	1.091	16	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8980	0.000	1	120.8980	0.000	1	120.8980	0.000	1	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1980	0.000	1	120.1980	0.000	1	120.1980	0.000	1	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(F)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8660	0.000	1	120.8660	0.000	1	120.8660	0.000	1	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.6150	0.000	1	121.6150	0.000	1	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.5790	0.000	1	115.5790	0.000	1	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.7810	0.000	1	121.7810	0.000	1	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	122.1920	0.000	1	122.1920	0.000	1	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.0810	0.000	1	118.0810	0.000	1	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1710	0.025	2	121.3077	0.066	4	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.4445	0.350	2	121.3077	0.066	4	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3435	1.046	2	120.2495	1.330	10	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.1810	1.370	2	120.2495	1.330	10	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7320	0.943	2	120.2495	1.330	10	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.9955	1.567	4	120.2495	1.330	10	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.3100	0.000	1	118.3100	0.000	1	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.6865	0.719	2	118.6865	0.517	2	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.8110	0.000	1	120.6554	3.402	33	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4855	1.046	2	120.6554	3.402	33	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4671	1.960	14	120.6554	3.402	33	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.2955	0.459	2	120.6554	3.402	33	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.8115	1.034	2	120.6554	3.402	33	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.9158	2.912	4	120.6554	3.402	33	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4480	1.544	2	120.6554	3.402	33	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5705	2.106	4	120.6554	3.402	33	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6250	1.782	2	120.6554	3.402	33	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.4845	1.268	2	118.4845	1.607	2	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.6365	0.786	2	119.6365	0.617	2	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2135	1.281	2	119.1727	4.070	3	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.0910	0.000	1	119.1727	4.070	3	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.5930	0.000	1	122.5930	0.000	1	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.9527	1.637	4	120.8598	4.072	8	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7668	2.608	4	120.8598	4.072	8	120.3875	3.301	71	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	120.9225	1.343	2	120.9225	1.803	2	120.9225	1.803	2	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,1|N<4>,1|O<2>}	121.1975	0.760	2	121.1975	0.578	2	121.1975	0.578	2	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]F)2	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]F)(F)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]F)2{1|C<3>,1|C<4>,1|W<6>,2|F<1>}	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|F<1>}	122.1530	2.749	2	122.1530	7.558	2	122.5733	2.163	6	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]F)2	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(F)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]F)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|F<1>}	122.7835	0.953	4	122.7835	0.908	4	122.5733	2.163	6	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.2185	0.825	2	120.2185	0.681	2	120.2185	0.681	2	120.5767	3.212	86	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:2:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.9945	0.479	2	119.9945	0.229	2	119.4052	0.839	4	119.4052	0.839	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:2:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.4860	0.000	1	119.4860	0.000	1	119.4052	0.839	4	119.4052	0.839	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:2:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC[6])	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.1460	0.000	1	118.1460	0.000	1	119.4052	0.839	4	119.4052	0.839	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:3:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(COO)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.7150	0.000	1	123.7150	0.000	1	123.7150	0.000	1	124.6375	1.702	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:3:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	125.5600	0.000	1	125.5600	0.000	1	125.5600	0.000	1	124.6375	1.702	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,1|P<4>,2|H<1>}	119.7090	2.893	2	119.7777	6.270	4	119.7777	6.270	4	119.7777	6.270	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|C<4>}	119.8465	3.228	2	119.7777	6.270	4	119.7777	6.270	4	119.7777	6.270	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5173	0.170	4	120.5173	0.029	4	120.5173	0.029	4	120.4185	0.659	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:S[3]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.2210	1.758	2	120.2210	3.090	2	120.2210	3.090	2	120.4185	0.659	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.2490	0.216	2	121.2490	0.047	2	120.5401	0.924	20	120.5401	0.924	20	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5350	1.084	8	120.5350	1.174	8	120.5401	0.924	20	120.5401	0.924	20	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3763	1.194	6	120.4213	1.045	8	120.5401	0.924	20	120.5401	0.924	20	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.5560	0.380	2	120.4213	1.045	8	120.5401	0.924	20	120.5401	0.924	20	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,2|C<4>}	120.3275	0.870	2	120.3275	0.758	2	120.5401	0.924	20	120.5401	0.924	20	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4100	2.761	2	120.4100	7.621	2	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.0602	0.393	8	120.0602	0.154	8	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2530	1.356	2	120.2530	1.839	2	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7070	0.000	1	120.7070	0.000	1	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6882	1.548	8	120.5077	2.581	11	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.9910	0.000	1	120.5077	2.581	11	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5440	2.544	2	120.5077	2.581	11	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7420	2.089	2	120.6860	6.946	4	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6300	4.057	2	120.6860	6.946	4	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1959	1.971	8	120.1959	3.884	8	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5375	1.669	2	120.5375	2.787	2	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5016	1.878	16	120.5043	3.289	22	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5380	1.913	2	120.5043	3.289	22	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4982	2.041	4	120.5043	3.289	22	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,1|S<4>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4225	2.709	2	120.4225	7.338	2	120.4101	2.716	62	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	N[3,5]-3:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]Cl)2	C[3](N[3,5]C[3,5]C[4,5])(C[3,5]N[3,5]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]Cl)2{2|C<3>,2|C<4>,2|H<1>}	C[3](N[3,5]C[3,5]C[4,5])(C[3,5]N[3,5]C[5]C)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.1490	0.950	2	122.1490	0.903	2	122.1490	0.903	2	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	Nb[11x3]-3:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]Nb[11x3]C[3]H)(C[6a]C[6a]H)2	C[3](Nb[11x3]C[3,3,5]10C[3]H)(C[3]Nb[11x3]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]Nb[11x3]C[3]H)(C[6a]C[6a]H)2{10|C<4>,2|C<3>,4|H<1>}	C[3](Nb[11x3]C[3,3,5]10C[3]H)(C[3]Nb[11x3]C[6a]H)(C[6a]C[6a]2)(H){10|H<1>,2|Si<4>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Nb<13>,1|C<3>,1|C<4>,3|H<1>}	121.5605	2.351	4	121.5605	5.525	4	121.5605	5.525	4	120.5289	2.889	68	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[3]-4:N[3]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[5a]C[3]N[3])(C[6a]C[6a]H)2	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[5a]C[3]N[3])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6400	1.044	2	120.6400	1.089	2	120.6400	1.089	2	120.9632	2.587	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(CHH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(CHH){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9870	2.469	2	121.9870	6.097	2	121.1248	3.844	4	120.9632	2.587	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2625	1.569	2	120.2625	2.462	2	121.1248	3.844	4	120.9632	2.587	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|H<1>}	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.0630	1.093	2	120.0630	1.195	2	120.1972	4.907	4	120.1972	4.907	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|H<1>}	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.3315	3.668	2	120.3315	13.452	2	120.1972	4.907	4	120.1972	4.907	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C-4:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3])	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,4|H<1>}	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3]){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3320	1.148	2	120.3320	1.319	2	120.3320	1.319	2	120.3320	1.319	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.4910	0.000	1	122.4910	0.000	1	120.4709	7.565	11	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9387	4.324	4	120.9387	18.695	4	120.4709	7.565	11	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,3|C<3>}	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.5040	1.417	2	118.5040	2.008	2	120.4709	7.565	11	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,3|C<3>}	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7275	1.627	2	120.4815	1.621	4	120.4709	7.565	11	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2355	1.405	2	120.4815	1.621	4	120.4709	7.565	11	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5440	2.113	2	120.5440	4.464	2	120.2021	4.906	12	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1677	2.404	6	120.1677	5.782	6	120.2021	4.906	12	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<3>}	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.0828	2.601	4	120.0828	6.766	4	120.2021	4.906	12	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,3|H<1>}	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5660	1.136	2	120.5660	1.290	2	120.3492	3.359	25	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.0765	0.788	2	120.4808	5.872	8	120.3492	3.359	25	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4455	3.782	2	120.4808	5.872	8	120.3492	3.359	25	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6820	2.974	2	120.4808	5.872	8	120.3492	3.359	25	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7190	4.100	2	120.4808	5.872	8	120.3492	3.359	25	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.4217	0.863	3	120.4217	0.744	3	120.3492	3.359	25	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5325	0.435	4	120.5325	0.189	4	120.3492	3.359	25	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.9095	3.574	2	119.9095	12.777	2	120.3492	3.359	25	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.8520	0.000	1	120.5736	3.801	5	120.3492	3.359	25	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>}	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.0040	1.704	4	120.5736	3.801	5	120.3492	3.359	25	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.6710	0.000	1	117.6710	0.000	1	120.3492	3.359	25	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:S[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]S[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]S[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	121.0965	4.993	2	121.0965	24.929	2	121.0965	24.929	2	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	C[3](P[3]C[5]O[3]Cr)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	C[3](P[3]C[5]O[3]Cr)(C[6a]C[6a]2)(O[3]P[3])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.1865	2.405	2	120.1865	5.783	2	120.3369	1.521	14	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	C[3](P[3]C[5]O[3]Mo)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	C[3](P[3]C[5]O[3]Mo)(C[6a]C[6a]2)(O[3]P[3])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.1975	2.188	2	120.1975	4.790	2	120.3369	1.521	14	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	C[3](P[3]C[5]O[3]W)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	C[3](P[3]C[5]O[3]W)(C[6a]C[6a]2)(O[3]P[3])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.3005	2.228	2	120.3005	4.964	2	120.3369	1.521	14	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	C[3](P[3]O[3]CrC)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	C[3](P[3]O[3]CrC)(C[6a]C[6a]2)(O[3]P[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.2378	0.498	4	120.2378	0.248	4	120.3369	1.521	14	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	C[3](P[3]O[3]MoC)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	C[3](P[3]O[3]MoC)(C[6a]C[6a]2)(O[3]P[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.5990	1.016	4	120.5990	1.032	4	120.3369	1.521	14	120.3537	4.013	65	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2	C[3](P[3]O[3]CrC)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	C[3](P[3]O[3]CrC)(C[6a]C[6a]2)(O[3]P[3])(H){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|C<4>}	119.5375	2.305	4	119.5375	5.315	4	119.5375	5.315	4	119.5375	5.315	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3250	0.502	2	120.3250	0.252	2	120.5882	0.208	6	120.3972	3.548	10	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6355	0.739	2	120.6355	0.546	2	120.5882	0.208	6	120.3972	3.548	10	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.8040	0.082	2	120.8040	0.007	2	120.5882	0.208	6	120.3972	3.548	10	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]N)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]N)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.9155	0.483	2	119.9155	0.233	2	119.9155	0.233	2	120.3972	3.548	10	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:S[3]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.3060	5.473	2	120.3060	29.954	2	120.3060	29.954	2	120.3972	3.548	10	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O[3]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]O[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]O[3]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.8320	0.089	2	120.8320	0.008	2	120.8320	0.008	2	120.2933	0.661	12	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.4120	1.120	2	119.4120	1.255	2	120.1855	0.730	10	120.2933	0.661	12	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.4810	0.805	2	120.4810	0.648	2	120.1855	0.730	10	120.2933	0.661	12	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.6750	1.455	2	120.6750	2.118	2	120.1855	0.730	10	120.2933	0.661	12	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3580	0.689	2	120.3580	0.474	2	120.1855	0.730	10	120.2933	0.661	12	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0015	0.316	2	120.0015	0.100	2	120.1855	0.730	10	120.2933	0.661	12	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:2:4:	3:3:2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(OC)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.1665	0.835	2	122.1665	0.697	2	122.1665	0.697	2	122.1665	0.697	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	B[3,5]-4:O[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[3]B[3,5]O[3,5]H)(C[6a]C[6a]F)2	C[3](B[3,5]C[5,5]O[3,5]C[6a])(O[3,5]B[3,5]B[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]F)(F)	C[6a](C[3]B[3,5]O[3,5]H)(C[6a]C[6a]F)2{1|B<4>,1|C<4>,2|C<3>,2|F<1>}	C[3](B[3,5]C[5,5]O[3,5]C[6a])(O[3,5]B[3,5]B[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|P<4>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|H<1>,1|O<3>,2|F<1>}	122.2665	7.605	2	122.2665	57.835	2	122.2665	57.835	2	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2650	3.964	2	120.5240	6.177	4	120.5240	6.177	4	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7830	1.597	2	120.5240	6.177	4	120.5240	6.177	4	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,5]N[3,5]H)(N[3,5]C[3,5]C[5,5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,5]C[5,5]N[3,5]H)(N[3,5]C[3,5]C[5,5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4160	1.331	2	120.4160	1.771	2	120.5225	1.630	26	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6]N[3,5]C)(N[3,5]C[3,5]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[3](C[3,5]C[5,6]N[3,5]C)(N[3,5]C[3,5]C[5,6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4820	2.971	2	120.4820	8.828	2	120.5225	1.630	26	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4335	1.077	2	120.4335	1.160	2	120.5225	1.630	26	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3315	1.761	2	120.6132	2.952	6	120.5225	1.630	26	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7540	1.951	4	120.6132	2.952	6	120.5225	1.630	26	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6400	1.901	2	120.4663	1.095	12	120.5225	1.630	26	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2915	0.894	2	120.4663	1.095	12	120.5225	1.630	26	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.4120	0.699	2	120.4663	1.095	12	120.5225	1.630	26	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4745	1.155	2	120.4663	1.095	12	120.5225	1.630	26	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6035	1.497	2	120.4663	1.095	12	120.5225	1.630	26	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3765	1.842	2	120.4663	1.095	12	120.5225	1.630	26	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8230	1.368	2	120.8230	1.870	2	120.5225	1.630	26	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.5480	0.000	1	121.4435	8.858	2	120.4965	6.577	4	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.3390	0.000	1	121.4435	8.858	2	120.4965	6.577	4	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.6410	0.000	1	117.6410	0.000	1	120.4965	6.577	4	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4580	0.000	1	121.4580	0.000	1	120.4965	6.577	4	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7520	2.589	2	120.7520	6.705	2	120.5625	2.976	30	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5035	2.620	2	120.5035	6.864	2	120.5625	2.976	30	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5820	1.418	4	120.5820	2.010	4	120.5625	2.976	30	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7765	2.262	2	120.7765	5.117	2	120.5625	2.976	30	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4765	1.099	4	120.4765	1.208	4	120.5625	2.976	30	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5258	2.543	4	120.5258	6.468	4	120.5625	2.976	30	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3560	1.768	4	120.3560	3.127	4	120.5625	2.976	30	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2830	0.457	2	120.6311	4.110	8	120.5625	2.976	30	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|S<3>,2|C<3>,2|H<1>}	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7472	2.377	6	120.6311	4.110	8	120.5625	2.976	30	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.0300	0.000	1	119.0300	0.000	1	120.4976	1.997	15	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.9670	0.259	2	119.9670	0.067	2	120.4976	1.997	15	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1970	1.034	2	121.1970	1.069	2	120.4976	1.997	15	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7620	2.683	2	120.7620	7.197	2	120.4976	1.997	15	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4968	2.119	4	120.5742	3.100	6	120.4976	1.997	15	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7290	1.400	2	120.5742	3.100	6	120.4976	1.997	15	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5685	0.504	2	120.5685	0.254	2	120.4976	1.997	15	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]Si[3,5]N[3]H)(C[6a]C[6a]H)2	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]Si[3,5]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	121.2335	1.342	4	121.3208	1.532	6	121.3208	1.532	6	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]Si[3,5]N[3]H)(C[6a]C[6a]H)2	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]Si[3,5]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	121.4955	1.470	2	121.3208	1.532	6	121.3208	1.532	6	120.6260	3.114	87	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC[6a])	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.9405	0.343	2	121.9405	0.118	2	121.9405	0.118	2	121.9405	0.118	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7360	0.000	1	120.7360	0.000	1	120.7360	0.000	1	120.7360	0.000	1	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)2	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6])	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4260	1.778	2	120.4260	3.160	2	120.4260	3.160	2	119.5152	1.669	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3])	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3]){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.0597	0.948	4	119.0597	0.898	4	119.0597	0.898	4	119.5152	1.669	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3])	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3]){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	121.3338	0.479	4	121.3338	0.229	4	121.3338	0.229	4	121.3338	0.229	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:P[3,5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,5|C<3>}	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	121.0245	1.277	4	121.0245	1.631	4	121.0245	1.631	4	120.9796	2.309	14	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5957	2.400	4	120.5957	5.760	4	120.5957	5.760	4	120.9796	2.309	14	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6540	1.489	2	120.6540	2.218	2	120.6540	2.218	2	120.9796	2.309	14	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]Si[3]N[3])(C[6a]C[6a]H)2	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]Si[3]N[3])(C[6a]C[6a]H)2{1|Si<4>,1|N<2>,2|H<1>,4|C<3>}	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si){2|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.4813	1.126	4	121.4813	1.269	4	121.4813	1.269	4	120.9796	2.309	14	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]N[3,5]C)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]N[3,5]C)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5170	2.186	2	120.5170	4.780	2	120.5170	4.780	2	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[5a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[5a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[5a]C[3]2)(C[6a]C[6a]H)2{4|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.8120	2.877	2	120.8120	8.274	2	120.8120	8.274	2	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	121.5840	0.000	1	121.5840	0.000	1	121.5840	0.000	1	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|Cl<1>,3|C<3>,3|H<1>}	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	122.6465	1.965	2	122.6465	3.861	2	122.6465	3.861	2	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	122.1440	0.000	1	122.1440	0.000	1	120.9076	1.737	29	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|Cl<1>,3|C<3>,3|H<1>}	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	119.8585	0.793	2	119.8585	0.628	2	120.9076	1.737	29	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8287	1.516	12	120.8287	2.299	12	120.9076	1.737	29	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|Cl<1>,3|C<3>,4|H<1>}	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.0067	0.670	4	121.0067	0.449	4	120.9076	1.737	29	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8880	3.415	2	120.8880	11.664	2	120.9076	1.737	29	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]CH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1017	0.606	4	121.1017	0.367	4	120.9076	1.737	29	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{4|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]HH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.1080	1.503	2	121.0760	1.502	4	120.9076	1.737	29	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{4|C<3>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]HH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0440	1.498	2	121.0760	1.502	4	120.9076	1.737	29	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	119.2805	0.325	2	119.2805	0.105	2	119.2805	0.105	2	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0915	0.057	2	121.0915	0.003	2	121.0915	0.003	2	120.9150	1.996	40	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.7470	0.447	2	123.7470	0.200	2	123.7470	0.200	2	123.7470	0.200	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	N[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](N[3]C[3]CuH)(C[6a]C[6a]2)(C[3]N[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cu<4>,1|C<3>,5|H<1>}	C[3](N[3]C[3]CuH)(C[6a]C[6a]2)(C[3]N[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.6941	3.696	8	120.6941	13.662	8	120.6941	13.662	8	120.6960	12.221	10	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]P[3]H)(C[6a]C[6a]H)2	C[3](P[3]C[3]FeC)(C[6a]C[6a]2)(C[3]P[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]P[3]H)(C[6a]C[6a]H)2{1|Fe<8>,1|C<3>,1|C<4>,4|H<1>}	C[3](P[3]C[3]FeC)(C[6a]C[6a]2)(C[3]P[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.7035	3.789	2	120.7035	14.359	2	120.7035	14.359	2	120.6960	12.221	10	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[3]-4:O[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[5,6]C[3]O[3])(C[6a]C[6a]H)2	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	C[6a](C[3]C[5,6]C[3]O[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.9335	0.486	2	119.9335	0.236	2	119.9335	0.236	2	119.9335	0.236	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]SeC)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[3](C[3]C[3]SeC)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.4530	1.937	2	120.4530	3.754	2	120.6508	3.109	4	120.6508	3.109	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	120.8485	2.327	2	120.8485	5.415	2	120.6508	3.109	4	120.6508	3.109	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[3]-4:Si-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]2Si)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(SiC3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]2Si)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(SiC3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	121.4740	0.679	2	121.4740	0.461	2	121.4740	0.461	2	121.4740	0.461	2	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	B[3]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]B[3]C[3]H)(C[6a]C[6a]H)2	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]B[3]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	121.8279	2.290	15	121.8279	5.243	15	121.8279	5.243	15	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5,6]2H)(C[6a]C[6a]H)2	C[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5,6]2H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2520	1.450	2	121.2520	2.101	2	121.2520	2.101	2	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5,6]C[3,6]H)(C[6a]C[6a]H)2	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5,6]C[3,6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3845	0.672	2	120.3845	0.452	2	120.3845	0.452	2	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	120.2650	0.000	1	120.2650	0.000	1	120.2650	0.000	1	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	122.2550	0.000	1	122.2550	0.000	1	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8200	2.753	8	120.7830	8.761	12	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7090	3.799	4	120.7830	8.761	12	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8505	5.165	4	120.8305	22.943	6	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<4>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7905	5.889	2	120.8305	22.943	6	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0168	3.738	4	121.0020	13.935	6	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9725	5.269	2	121.0020	13.935	6	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|C<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.3240	3.947	2	121.3240	15.579	2	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[3](C[3,5]C[3,5]C[5]2)2(C[6a]C[6a]2)(H){2|H<1>,4|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.1680	0.000	1	122.1680	0.000	1	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[3](C[3,5]C[3,5]C[5]2)2(C[6a]C[6a]2)(H){2|H<1>,4|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	118.3640	0.000	1	118.3640	0.000	1	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(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[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.8530	0.000	1	120.4644	4.735	17	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4785	0.741	4	120.4644	4.735	17	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5187	2.126	6	120.4644	4.735	17	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(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[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.6410	4.282	2	120.4644	4.735	17	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9865	3.103	2	120.4644	4.735	17	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8805	3.969	2	120.4644	4.735	17	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(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[3])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.4660	0.000	1	122.4660	0.000	1	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4720	2.472	4	120.4720	6.111	4	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.8190	0.000	1	120.6270	4.784	13	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9770	1.783	2	120.6270	4.784	13	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.8650	3.285	2	120.6270	4.784	13	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.6715	2.823	2	120.6270	4.784	13	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7225	2.504	4	120.6270	4.784	13	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7075	3.601	2	120.6270	4.784	13	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	122.4700	0.000	1	122.4700	0.000	1	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6585	0.955	4	120.6585	0.912	4	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6030	1.546	2	120.6030	2.389	2	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.4370	0.881	2	120.4370	0.776	2	120.7316	6.567	73	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[3])(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[3])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	123.2190	0.000	1	123.2190	0.000	1	123.2190	0.000	1	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	119.9510	0.000	1	119.9510	0.000	1	119.9510	0.000	1	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.5090	0.000	1	117.5090	0.000	1	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.5060	0.000	1	122.5060	0.000	1	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{2|C<2>,2|H<1>,3|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.0950	0.610	2	120.0950	0.372	2	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.4430	0.000	1	117.4430	0.000	1	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	122.8900	0.000	1	122.8900	0.000	1	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CN)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.4250	1.266	2	120.4250	1.602	2	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(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[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7640	3.442	2	120.9248	3.032	8	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(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[3])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.8770	1.738	2	120.9248	3.032	8	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(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[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1200	1.693	2	120.9248	3.032	8	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.9380	1.831	2	120.9248	3.032	8	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HN)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.4990	3.363	2	120.4990	11.310	2	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8825	0.248	2	120.7350	2.985	4	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.5875	2.968	2	120.7350	2.985	4	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1975	2.450	2	121.1975	6.003	2	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,2|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6155	1.237	2	120.5113	1.802	6	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,2|H<1>,3|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4592	1.576	4	120.5113	1.802	6	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0780	1.812	4	120.8436	4.786	18	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6490	4.497	2	120.8436	4.786	18	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3320	3.353	2	120.8436	4.786	18	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6911	2.083	10	120.8436	4.786	18	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6040	2.961	2	120.8420	1.822	8	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0002	0.756	4	120.8420	1.822	8	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7635	1.429	2	120.8420	1.822	8	120.7162	3.346	56	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0118	2.332	4	121.0118	5.440	4	120.7511	3.239	28	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]F)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{2|F<1>,2|H<1>,3|C<3>}	C[3](C[3,6]C[3,6]C[6]F)2(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3390	1.017	4	120.3390	1.035	4	120.7511	3.239	28	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(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[3])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.5470	1.556	2	120.9697	3.229	6	120.7511	3.239	28	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1405	3.296	2	120.9697	3.229	6	120.7511	3.239	28	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2215	1.524	2	120.9697	3.229	6	120.7511	3.239	28	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(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[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1890	3.148	2	121.0203	4.923	4	120.7511	3.239	28	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.8515	2.179	2	121.0203	4.923	4	120.7511	3.239	28	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1755	4.098	2	121.1755	16.791	2	120.7511	3.239	28	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8075	1.159	2	120.8075	1.343	2	120.7511	3.239	28	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0875	1.960	4	120.0875	3.843	4	120.7511	3.239	28	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3,6]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]H)2(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7070	1.949	2	120.7070	3.798	2	120.7511	3.239	28	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8950	0.000	1	120.8950	0.000	1	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	120.4510	0.000	1	120.4510	0.000	1	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.9360	1.908	2	120.2545	5.582	4	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.5730	3.564	2	120.2545	5.582	4	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4975	3.729	2	120.7207	5.608	12	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4040	4.264	2	120.7207	5.608	12	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6250	3.749	2	120.7207	5.608	12	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.8255	2.279	2	120.7207	5.608	12	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9862	1.801	4	120.7207	5.608	12	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(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[3])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.7860	2.981	2	120.8913	9.012	6	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9410	4.374	2	120.8913	9.012	6	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9470	4.124	2	120.8913	9.012	6	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.2285	0.531	2	120.2285	0.282	2	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.5405	4.076	2	121.5405	16.618	2	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,4|H<1>}	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9180	2.544	2	120.9180	6.473	2	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6135	0.403	4	120.6135	0.163	4	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3615	3.734	2	121.3615	13.944	2	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7510	3.000	2	120.7510	8.997	2	120.7477	4.708	38	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7731	1.624	8	120.7731	2.636	8	120.7731	2.636	8	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[3]PdC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,2|C<3>,3|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]PdC)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.5856	1.716	16	120.5856	2.943	16	120.5856	2.943	16	120.7994	4.509	241	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CN){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	119.7055	0.484	2	119.7055	0.235	2	119.7055	0.235	2	120.4788	1.336	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[3]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5,6]C[3]O)(C[6a]C[6a]H)2	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5,6]C[3]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8275	2.128	2	120.8275	4.527	2	120.8275	4.527	2	120.4788	1.336	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(CN){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.9035	0.346	2	120.9035	0.120	2	120.9035	0.120	2	120.4788	1.336	6	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,4]-4:C[3,4]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,4]2C)(C[6a]C[6a]H)2	C[3](C[3,4]C[3,4]2H)2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,4]2C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[3](C[3,4]C[3,4]2H)2(C[6a]C[6a]2)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.7380	0.658	2	120.7380	0.432	2	120.7380	0.432	2	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,4]-4:C[3,4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,4]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,4]C[3,4]2H)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,4]2C[6a])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[3](C[3,4]C[3,4]2H)2(C[6a]C[6a]2)2{1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6637	0.284	4	120.6637	0.081	4	120.6637	0.081	4	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,4]-4:C[3]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,4]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HH)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,4]C[3]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HH)(C[6a]C[6a]2)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.7935	2.555	2	120.7935	6.527	2	120.7935	6.527	2	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(COO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3543	1.533	4	120.3543	2.350	4	120.7586	2.534	18	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.7945	0.189	2	120.5685	0.080	4	120.7586	2.534	18	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3425	0.036	2	120.5685	0.080	4	120.7586	2.534	18	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CNO){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	121.7490	2.078	4	121.7490	4.318	4	120.7586	2.534	18	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]O[5]C)(C[3,5]C[3,5]2H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3](C[3,5]C[3,5]O[5]C)(C[3,5]C[3,5]2H)(C[6a]C[6a]2)(COO){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.4405	2.419	4	120.4405	5.852	4	120.7586	2.534	18	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.6025	0.330	2	120.6025	0.109	2	120.7586	2.534	18	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4240	1.929	2	120.4240	3.721	2	120.3098	2.055	4	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CSiC)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CSiC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.1955	1.546	2	120.1955	2.391	2	120.3098	2.055	4	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:P[3,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]S[5]W)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2{1|S<2>,1|W<6>,2|H<1>,5|C<3>}	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]S[5]W)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	121.0250	2.209	8	121.0250	4.879	8	121.0250	4.879	8	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(COO){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4855	1.508	2	120.4855	2.275	2	120.4003	3.107	6	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4755	2.269	2	120.3577	4.412	4	120.4003	3.107	6	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.2400	2.834	2	120.3577	4.412	4	120.4003	3.107	6	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,3|H<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	121.5042	1.213	4	121.5042	1.472	4	120.6300	1.183	40	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|H<1>,2|O<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.7602	1.725	4	120.7602	2.974	4	120.6300	1.183	40	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|Br<1>,3|H<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3465	0.814	4	120.3465	0.662	4	120.6300	1.183	40	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	120.4069	1.063	8	120.5798	1.133	24	120.6300	1.183	40	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6698	1.174	12	120.5798	1.133	24	120.6300	1.183	40	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6555	0.935	4	120.5798	1.133	24	120.6300	1.183	40	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)2{2|N<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.2105	0.423	4	120.2105	0.179	4	120.6300	1.183	40	120.6716	1.861	84	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CCHH)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,3|H<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CCHH){2|C<3>,2|C<4>,2|H<1>}	118.4922	1.313	4	118.4922	1.724	4	119.0061	3.129	8	119.0061	3.129	8	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:3:	3:3:4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CCHH)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|H<1>,2|O<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CCHH){2|C<3>,2|C<4>,2|H<1>}	119.5200	2.208	4	119.5200	4.874	4	119.0061	3.129	8	119.0061	3.129	8	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.4904	0.669	7	120.4904	0.448	7	120.5177	1.664	21	120.6140	1.345	29	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.3975	1.620	12	120.3975	2.624	12	120.5177	1.664	21	120.6140	1.345	29	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[3])(C[6a]N[6a]H)(H)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.3340	0.475	2	121.3340	0.226	2	120.5177	1.664	21	120.6140	1.345	29	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|Br<1>,3|C<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Br)(H){1|C<3>,2|H<1>,3|C<4>}	121.4950	0.000	1	121.4950	0.000	1	120.7373	0.727	4	120.6140	1.345	29	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|Br<1>,3|C<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.8280	0.000	1	120.4847	0.708	3	120.7373	0.727	4	120.6140	1.345	29	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8130	0.877	2	120.4847	0.708	3	120.7373	0.727	4	120.6140	1.345	29	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CFHH)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CFHH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.7335	0.151	2	120.7335	0.023	2	120.7335	0.023	2	120.6140	1.345	29	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]N[6]H)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]N[6]H)(C[6a]C[6a]2)(CH3){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2600	1.031	2	121.2600	1.063	2	121.2600	1.063	2	120.6140	1.345	29	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	5:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	Si[3,4]-5:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)2	C[3](Si[3,4]N[3]N[4]2C)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[3](Si[3,4]N[3]N[4]2C)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	121.0755	1.071	2	121.0755	1.148	2	121.0135	2.068	4	121.0135	2.068	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3]	C[6a]	4:3:3:	5:3:3:1:	3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:	Si[3,4]-5:N[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)2	C[3](Si[3,4]N[3]N[4]2N)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|N<3>}	C[3](Si[3,4]N[3]N[4]2N)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	120.9515	2.245	2	120.9515	5.040	2	121.0135	2.068	4	121.0135	2.068	4	120.8038	3.674	1622	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3x3]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x3]-4:C[6a]-3:C[6a]-3:	C[3x3]-4:C[3x3]-4:C[3x3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[3x3]C[3x3]3)(C[6a]C[6a]F)2	C[3x3](C[3x3]C[3x3]2Si)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x3]C[6a])(C[6a]C[6a]F)(F)	C[6a](C[3x3]C[3x3]3)(C[6a]C[6a]F)2{3|Si<4>,1|C<3>,2|F<1>}	C[3x3](C[3x3]C[3x3]2Si)3(C[6a]C[6a]2){2|C<3>,2|F<1>}	C[6a](C[6a]C[3x3]C[6a])(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>,3|C<4>}	122.2675	1.839	2	122.2212	1.310	4	122.2212	1.310	4	122.2212	1.310	4	122.2212	1.310	4	120.7860	3.487	2071
643	486	643	0:SP2_SP2_SP3	C[6a]	C[3x3]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x3]-4:C[6a]-3:C[6a]-3:	C[3x3]-4:C[3x3]-4:C[3x3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[3x3]C[3x3]3)(C[6a]C[6a]F)2	C[3x3](C[3x3]C[3x3]2Si)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x3]C[6a])(C[6a]C[6a]F)(F)	C[6a](C[3x3]C[3x3]3)(C[6a]C[6a]F)2{3|Si<4>,1|C<3>,2|F<1>}	C[3x3](C[3x3]C[3x3]2Si)3(C[6a]C[6a]2){2|C<3>,2|F<1>}	C[6a](C[6a]C[3x3]C[6a])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,3|C<4>}	122.1750	0.734	2	122.2212	1.310	4	122.2212	1.310	4	122.2212	1.310	4	122.2212	1.310	4	120.7860	3.487	2071
643	486	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3,6,6]	C[6,6,6a]	3:4:3:	3:3:3:4:	4:3:3:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-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)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	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[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>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Si<4>,1|C<4>,2|H<1>,3|C<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){2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	123.2250	0.000	1	123.4562	0.034	4	123.4562	0.034	4	123.4562	0.034	4	121.9802	10.919	5	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3,6,6]	C[6,6,6a]	3:4:3:	3:3:3:4:	4:3:3:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-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)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	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[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>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Au<2>,1|Si<4>,1|C<4>,2|H<1>,3|C<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){1|Au<2>,2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	123.6390	0.000	1	123.4562	0.034	4	123.4562	0.034	4	123.4562	0.034	4	121.9802	10.919	5	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3,6,6]	C[6,6,6a]	3:4:3:	3:3:3:4:	4:3:3:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-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)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	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[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>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Cu<3>,1|Si<4>,1|C<4>,2|H<1>,3|C<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){1|Cu<3>,2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	123.4805	0.124	2	123.4562	0.034	4	123.4562	0.034	4	123.4562	0.034	4	121.9802	10.919	5	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3,6,6]	C[6,6,6a]	3:4:3:	4:4:3:1:	3:4:3:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,5,6]-4:C[3,5,6]-4:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6a]-3:	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[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6,6a]C[6,6,6a]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)	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>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,4|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){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	116.0760	0.000	1	116.0760	0.000	1	116.0760	0.000	1	116.0760	0.000	1	121.9802	10.919	5	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5])	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5]){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	117.3605	0.084	2	117.3605	0.007	2	117.3605	0.007	2	117.3605	0.007	2	117.7374	0.296	5	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,5,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:2:3:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:C[3]-4:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[3,5,6]C[3,5]C[5,6]C[3])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(N[6a]C[6a,6a])(C[6]N[6]O)	C[6,6a](C[3,5,6]C[3,5]C[5,6]C[3])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH){1|N<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[3,5,6]C[6a])(N[6a]C[6a,6a])(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	117.5690	0.000	1	117.5690	0.000	1	117.5690	0.000	1	117.5690	0.000	1	117.7374	0.296	5	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,5,6]	C[6,6a]	4:3:3:	4:3:3:2:	3:3:3:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6]-4:C[6,6a]-3:C[5,6]-3:O[3]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6])	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	117.7374	0.296	5	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,5,6]	C[6,6a]	4:3:3:	4:3:4:2:	3:3:3:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5]-4:C[6,6a]-3:C[5,6]-4:O[3]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	117.7374	0.296	5	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	120.2990	0.000	1	120.2990	0.000	1	120.2990	0.000	1	120.3290	0.174	3	120.3290	0.174	3	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	120.3440	0.588	2	120.3440	0.346	2	120.3440	0.346	2	120.3290	0.174	3	120.3290	0.174	3	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[3]-4:C[3]-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]N[6,6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]N[6,6]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	118.9990	0.000	1	118.9990	0.000	1	118.9990	0.000	1	118.9990	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-3: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[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	121.3095	0.132	2	121.3095	0.017	2	121.3095	0.017	2	121.3095	0.017	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-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[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]BrC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]BrC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	121.4305	0.118	2	121.4305	0.014	2	121.3113	0.028	4	121.2395	0.124	6	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-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[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	121.1920	0.112	2	121.1920	0.012	2	121.3113	0.028	4	121.2395	0.124	6	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4: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[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H)	C[6,6a](C[6,6a]C[3,6]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[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	120.6080	0.000	1	120.6080	0.000	1	120.6080	0.000	1	121.2395	0.124	6	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-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[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	121.5840	0.000	1	121.5840	0.000	1	121.5840	0.000	1	121.2395	0.124	6	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3]-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[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	118.8415	0.086	2	118.8415	0.007	2	118.8415	0.007	2	118.8415	0.007	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	3:4:4:3:	3:3:4:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,7|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|H<1>}	116.0280	0.000	1	116.0280	0.000	1	116.0280	0.000	1	116.0280	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	117.4370	0.000	1	117.7030	0.142	2	117.7030	0.142	2	117.7030	0.142	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	117.9690	0.000	1	117.7030	0.142	2	117.7030	0.142	2	117.7030	0.142	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3]-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[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	120.0970	0.000	1	120.0970	0.000	1	120.0970	0.000	1	120.0970	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[3]-4:C[3]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-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)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH)	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[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>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH){2|C<4>,2|H<1>,5|C<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){1|C<3>,4|C<4>,4|H<1>}	118.5020	0.000	1	118.5020	0.000	1	118.5020	0.000	1	118.5020	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H){1|H<1>,8|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:4:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[3,6]-3:O[3]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3])(O[3]N[3,6])(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3])(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	119.3615	0.145	2	119.3615	0.021	2	119.3615	0.021	2	119.3615	0.021	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-3:C[6]-3:O[3]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3,6]C[3]C[6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3])	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]N[6]N)	C[6,6a](C[3,6]C[3]C[6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|N<3>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]N[6]N){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	117.8510	0.000	1	117.8510	0.000	1	117.8510	0.000	1	117.8510	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[3]-3:C[3]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[6a]C[3])2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[6a]C[3])2{1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	120.3090	0.470	2	120.3090	0.220	2	120.3090	0.220	2	120.3090	0.220	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[3,6]-3:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[3,6]N[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[3,6]N[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[3,6]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>}	121.3730	0.000	1	121.3730	0.000	1	121.3730	0.000	1	121.3730	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	122.6140	0.000	1	119.3017	4.887	4	119.3017	4.887	4	119.4342	3.753	5	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]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>}	118.1977	0.129	3	119.3017	4.887	4	119.3017	4.887	4	119.4342	3.753	5	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[3]-4:O[3]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[3,6]C[6,6]C[3]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3])	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[3,6]C[6,6]C[3]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.9640	0.000	1	119.9640	0.000	1	119.9640	0.000	1	119.4342	3.753	5	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[3]-4:C[3]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[3]C[3]HH)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[3]C[3]HH)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	120.5300	0.000	1	120.5300	0.000	1	120.5300	0.000	1	120.5300	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:4:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[3]-4:C[3]-4:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[3]HH)2	C[6,6a](C[6,6a]C[3,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|O<1>,3|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[3]HH)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.3770	0.065	2	119.3770	0.004	2	119.3770	0.004	2	119.3770	0.004	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:4:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	119.5720	0.017	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:4:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[3,6]-4:O[3]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<4>,1|O<2>,3|C<3>,4|H<1>}	119.6630	0.000	1	119.6630	0.000	1	119.6630	0.000	1	119.5720	0.017	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.9220	0.000	1	119.9220	0.000	1	119.8363	0.012	3	119.8363	0.012	3	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.7935	0.111	2	119.7935	0.012	2	119.8363	0.012	3	119.8363	0.012	3	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:2:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6a]C[6a])(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	120.4665	0.168	2	120.4665	0.028	2	120.4665	0.028	2	120.4665	0.028	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<3>,2|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[3,6]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	120.1770	0.013	2	120.1770	0.013	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	120.2580	0.000	1	120.2580	0.000	1	120.1770	0.013	2	120.1770	0.013	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]F)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]F){1|F<1>,3|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]H){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	120.3455	0.056	2	120.3455	0.003	2	120.1815	0.040	4	120.4122	0.160	6	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	119.9510	0.000	1	119.9510	0.000	1	120.1815	0.040	4	120.4122	0.160	6	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.0840	0.000	1	120.0840	0.000	1	120.1815	0.040	4	120.4122	0.160	6	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,3|H<1>}	121.0150	0.000	1	121.0150	0.000	1	121.0150	0.000	1	120.4122	0.160	6	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]C)(C[3,6]C[3]N[6]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]C)(C[3,6]C[3]N[6]H)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.7320	0.000	1	120.7320	0.000	1	120.7320	0.000	1	120.4122	0.160	6	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	120.3360	0.000	1	120.3360	0.000	1	120.3076	0.999	8	120.3476	0.786	10	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[3,6]C[3,6]C[3]H)(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[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	119.7030	0.000	1	121.0253	1.391	3	120.3076	0.999	8	120.3476	0.786	10	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	121.6865	0.400	2	121.0253	1.391	3	120.3076	0.999	8	120.3476	0.786	10	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	120.5730	0.000	1	120.5730	0.000	1	120.3076	0.999	8	120.3476	0.786	10	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	120.1040	0.000	1	120.1040	0.000	1	120.3076	0.999	8	120.3476	0.786	10	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N[6])(C[3]C[3,6]Cl2)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N[6])(C[3]C[3,6]Cl2)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	119.1860	0.187	2	119.1860	0.035	2	120.3076	0.999	8	120.3476	0.786	10	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.4200	0.000	1	120.4200	0.000	1	120.5075	0.015	2	120.3476	0.786	10	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.5950	0.000	1	120.5950	0.000	1	120.5075	0.015	2	120.3476	0.786	10	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(COO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(COO){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	118.5660	0.000	1	118.5660	0.000	1	118.5660	0.000	1	118.5660	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	119.0360	0.000	1	119.0360	0.000	1	119.0590	0.001	2	119.0590	0.001	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|F<1>,3|C<4>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	119.0820	0.000	1	119.0820	0.000	1	119.0590	0.001	2	119.0590	0.001	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3,6]C[3,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2O[6])(C[3]C[3]HH)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]O[6]O)	C[6,6a](C[3,6]C[3,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2O[6])(C[3]C[3]HH)2{3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	117.3990	0.066	2	117.3990	0.004	2	117.3990	0.004	2	117.6732	0.107	4	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:C[3]-4:C[3]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3,6]C[4,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(C[3]C[3]HH)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[3,6]C[4,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(C[3]C[3]HH)2{1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	117.9475	0.131	2	117.9475	0.017	2	117.9475	0.017	2	117.6732	0.107	4	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|F<1>,3|C<4>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	117.9970	0.000	1	117.9970	0.000	1	117.9970	0.000	1	117.9970	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[3]-4:C[3]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[3]C[3]HH)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[3]C[3]HH)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	121.7210	0.000	1	121.7210	0.000	1	121.7210	0.000	1	121.7210	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,3x6]-4:C[6,6a]-3:O[3]-2:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[3,6]C[3,3x6]O[3]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(N[5,6]C[5,4x6]C[5])(C[6a]C[6a]H)	C[6,6a](C[3,6]C[3,3x6]O[3]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(N[5,6]C[5,4x6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	120.2920	0.000	1	120.2920	0.000	1	120.2920	0.000	1	120.2920	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	4:3:3:2:	3:3:2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5]-4:C[6,6a]-3:C[6,6a]-3:S[3]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5])	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	116.3665	0.114	2	116.3665	0.013	2	116.3665	0.013	2	116.3665	0.013	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[3,6]C[3,5,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[3,6]C[3,5,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	122.7180	0.000	1	122.7180	0.000	1	122.7180	0.000	1	120.5311	0.736	10	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[3]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[3]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	120.5305	0.392	4	120.5305	0.153	4	120.2881	0.164	9	120.5311	0.736	10	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6a]C[3]N[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[3]N[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	120.0942	0.328	5	120.0942	0.108	5	120.2881	0.164	9	120.5311	0.736	10	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	118.8800	0.000	1	118.8800	0.000	1	118.8800	0.000	1	118.8800	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(COO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(COO){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.9200	0.000	1	118.9200	0.000	1	118.9200	0.000	1	118.9200	0.000	1	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5]-4:C[6,6a]-3:C[3,5]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3,6]C[3,5]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[3,6]C[3,5]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|H<1>}	114.9085	0.353	2	114.9085	0.125	2	114.9085	0.125	2	114.9085	0.125	2	119.6596	2.415	84	119.7009	3.044	97
643	486	643	6:SP2_SP2_SP3	C[6,6a]	C[3,6]	C[6,6a]	4:3:3:	4:4:3:1:	3:4:3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[3,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	120.3070	0.000	1	120.3070	0.000	1	120.3070	0.000	1	120.3070	0.000	1	119.6596	2.415	84	119.7009	3.044	97